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Analogs

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Popular Name: 2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 2-[methyl-[(3S)-1-methyl-3-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 6.42 -43.51 1 4 1 38 240.352 3 ↓
Hi High (pH 8-9.5) 1.54 4.05 -8.72 0 4 0 36 239.344 3 ↓

Analogs

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Popular Name: 2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 2-[methyl-[(3R)-1-methyl-3-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 6.43 -43.2 1 4 1 38 240.352 3 ↓
Hi High (pH 8-9.5) 1.54 4.05 -8.75 0 4 0 36 239.344 3 ↓

Analogs

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Popular Name: 1-[2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanone 1-[2-[methyl-[(3R)-1-methyl-3-pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 7.14 -45.73 1 4 1 38 254.379 3 ↓
Hi High (pH 8-9.5) 1.65 4.75 -9.43 0 4 0 36 253.371 3 ↓

Analogs

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Popular Name: 1-[2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanone 1-[2-[methyl-[(3S)-1-methyl-3-pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 7.14 -45.45 1 4 1 38 254.379 3 ↓
Hi High (pH 8-9.5) 1.65 4.76 -9.48 0 4 0 36 253.371 3 ↓

Analogs

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Popular Name: 1-[4-methyl-2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanone 1-[4-methyl-2-[methyl-[(3R)-1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 7.75 -43.6 1 4 1 38 268.406 3 ↓
Hi High (pH 8-9.5) 1.87 5.37 -8.5 0 4 0 36 267.398 3 ↓

Analogs

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Popular Name: 1-[4-methyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanone 1-[4-methyl-2-[methyl-[(3S)-1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 7.76 -43.28 1 4 1 38 268.406 3 ↓
Hi High (pH 8-9.5) 1.87 5.37 -8.54 0 4 0 36 267.398 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N,4-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.16 5.9 -87.08 4 4 2 48 270.446 3 ↓
Hi High (pH 8-9.5) -0.16 3.19 -6.47 2 4 0 45 268.43 3 ↓
Mid Mid (pH 6-8) -0.16 5.55 -37.52 3 4 1 47 269.438 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N,4-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.16 5.9 -85.6 4 4 2 48 270.446 3 ↓
Hi High (pH 8-9.5) -0.16 3.19 -6.51 2 4 0 45 268.43 3 ↓
Mid Mid (pH 6-8) -0.16 5.56 -37.16 3 4 1 47 269.438 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(3S)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 4.72 -88.7 4 4 2 48 242.392 3 ↓
Hi High (pH 8-9.5) 0.94 1.95 -5.94 2 4 0 45 240.376 3 ↓
Mid Mid (pH 6-8) 0.94 4.32 -37.5 3 4 1 47 241.384 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(3R)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 4.73 -87.19 4 4 2 48 242.392 3 ↓
Hi High (pH 8-9.5) 0.94 1.95 -5.95 2 4 0 45 240.376 3 ↓
Mid Mid (pH 6-8) 0.94 4.32 -37.42 3 4 1 47 241.384 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-methyl-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.38 5.4 -87.95 4 4 2 48 256.419 3 ↓
Hi High (pH 8-9.5) -0.38 2.7 -5.93 2 4 0 45 254.403 3 ↓
Mid Mid (pH 6-8) -0.38 5.08 -37.41 3 4 1 47 255.411 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-methyl-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.38 5.41 -86.91 4 4 2 48 256.419 3 ↓
Hi High (pH 8-9.5) -0.38 2.69 -5.72 2 4 0 45 254.403 3 ↓
Mid Mid (pH 6-8) -0.38 5.06 -37.26 3 4 1 47 255.411 3 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 7.61 -82.06 3 4 2 37 284.473 4 ↓
Hi High (pH 8-9.5) 2.09 6.33 -37.14 2 4 1 33 283.465 4 ↓
Hi High (pH 8-9.5) 2.09 3.95 -6.24 1 4 0 31 282.457 4 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 7.62 -80.76 3 4 2 37 284.473 4 ↓
Hi High (pH 8-9.5) 2.09 6.33 -37.05 2 4 1 33 283.465 4 ↓
Hi High (pH 8-9.5) 2.09 3.95 -6.22 1 4 0 31 282.457 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 8.45 -80.02 3 4 2 37 298.5 5 ↓
Hi High (pH 8-9.5) 2.47 7.26 -37.21 2 4 1 33 297.492 5 ↓
Hi High (pH 8-9.5) 2.47 4.89 -5.99 1 4 0 31 296.484 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 8.47 -80.93 3 4 2 37 298.5 5 ↓
Hi High (pH 8-9.5) 2.47 7.26 -37.12 2 4 1 33 297.492 5 ↓
Hi High (pH 8-9.5) 2.47 4.88 -5.16 1 4 0 31 296.484 5 ↓

Analogs

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Popular Name: N,4-dimethyl-N-[(3R)-1-methyl-3-piperidyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(3R)-1-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 9.21 -80.89 3 4 2 37 312.527 6 ↓
Hi High (pH 8-9.5) 2.97 8.02 -37.14 2 4 1 33 311.519 6 ↓
Hi High (pH 8-9.5) 2.97 5.64 -5.84 1 4 0 31 310.511 6 ↓

Analogs

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Popular Name: N,4-dimethyl-N-[(3R)-1-methyl-3-piperidyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(3R)-1-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 9.22 -81.82 3 4 2 37 312.527 6 ↓
Hi High (pH 8-9.5) 2.97 6.85 -38.12 2 4 1 36 311.519 6 ↓
Hi High (pH 8-9.5) 2.97 5.64 -5.04 1 4 0 31 310.511 6 ↓

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine N-methyl-5-(methylaminomethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 6.61 -82.45 3 4 2 37 256.419 4 ↓
Hi High (pH 8-9.5) 1.31 5.16 -37.41 2 4 1 33 255.411 4 ↓
Hi High (pH 8-9.5) 1.31 2.79 -5.59 1 4 0 31 254.403 4 ↓

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine N-methyl-5-(methylaminomethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 6.61 -83.26 3 4 2 37 256.419 4 ↓
Hi High (pH 8-9.5) 1.31 5.17 -36.96 2 4 1 33 255.411 4 ↓
Hi High (pH 8-9.5) 1.31 2.78 -5.65 1 4 0 31 254.403 4 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 7.47 -81.94 3 4 2 37 270.446 5 ↓
Hi High (pH 8-9.5) 1.69 6.1 -37.22 2 4 1 33 269.438 5 ↓
Hi High (pH 8-9.5) 1.69 3.72 -5.37 1 4 0 31 268.43 5 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 7.47 -82.67 3 4 2 37 270.446 5 ↓
Hi High (pH 8-9.5) 1.69 6.1 -36.68 2 4 1 33 269.438 5 ↓
Hi High (pH 8-9.5) 1.69 3.72 -5.43 1 4 0 31 268.43 5 ↓

Analogs

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Popular Name: N-methyl-N-[(3R)-1-methyl-3-piperidyl]-5-(propylaminomethyl)thiazol-2-amine N-methyl-N-[(3R)-1-methyl-3-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 8.22 -83.07 3 4 2 37 284.473 6 ↓
Hi High (pH 8-9.5) 2.19 5.84 -39.75 2 4 1 36 283.465 6 ↓
Hi High (pH 8-9.5) 2.19 4.48 -5.22 1 4 0 31 282.457 6 ↓

Analogs

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Popular Name: N-methyl-N-[(3S)-1-methyl-3-piperidyl]-5-(propylaminomethyl)thiazol-2-amine N-methyl-N-[(3S)-1-methyl-3-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 8.22 -83.79 3 4 2 37 284.473 6 ↓
Hi High (pH 8-9.5) 2.19 6.86 -36.59 2 4 1 33 283.465 6 ↓
Hi High (pH 8-9.5) 2.19 4.48 -5.31 1 4 0 31 282.457 6 ↓

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(isopropylamino)methyl]-N-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 8 -80.74 3 4 2 37 284.473 5 ↓
Hi High (pH 8-9.5) 1.99 4.39 -5.27 1 4 0 31 282.457 5 ↓
Hi High (pH 8-9.5) 1.99 6.79 -37.03 2 4 1 33 283.465 5 ↓

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(isopropylamino)methyl]-N-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 8 -81.53 3 4 2 37 284.473 5 ↓
Hi High (pH 8-9.5) 1.99 6.79 -36.52 2 4 1 33 283.465 5 ↓
Hi High (pH 8-9.5) 1.99 4.39 -5.37 1 4 0 31 282.457 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(tert-butylamino)methyl]-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 8.43 -79.21 3 4 2 37 298.5 5 ↓
Hi High (pH 8-9.5) 2.50 7.17 -36.87 2 4 1 33 297.492 5 ↓
Hi High (pH 8-9.5) 2.50 4.8 -5.1 1 4 0 31 296.484 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(tert-butylamino)methyl]-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 8.43 -80.05 3 4 2 37 298.5 5 ↓
Hi High (pH 8-9.5) 2.50 7.18 -36.38 2 4 1 33 297.492 5 ↓
Hi High (pH 8-9.5) 2.50 4.79 -5.21 1 4 0 31 296.484 5 ↓

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(isobutylamino)methyl]-N-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 8.91 -83.27 3 4 2 37 298.5 6 ↓
Hi High (pH 8-9.5) 2.43 6.54 -39.69 2 4 1 36 297.492 6 ↓
Hi High (pH 8-9.5) 2.43 7.54 -36.99 2 4 1 33 297.492 6 ↓

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(isobutylamino)methyl]-N-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 8.92 -84.07 3 4 2 37 298.5 6 ↓
Hi High (pH 8-9.5) 2.43 5.31 -5.11 1 4 0 31 296.484 6 ↓
Hi High (pH 8-9.5) 2.43 6.53 -39.63 2 4 1 36 297.492 6 ↓

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(3S)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(2-methoxyethylamino)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 6.59 -83.53 3 5 2 46 300.472 7 ↓
Hi High (pH 8-9.5) 1.30 2.8 -7.16 1 5 0 41 298.456 7 ↓
Mid Mid (pH 6-8) 1.30 5.17 -38.69 2 5 1 42 299.464 7 ↓

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(2-methoxyethylamino)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 6.6 -82.32 3 5 2 46 300.472 7 ↓
Hi High (pH 8-9.5) 1.30 2.8 -7.16 1 5 0 41 298.456 7 ↓
Mid Mid (pH 6-8) 1.30 5.17 -38.66 2 5 1 42 299.464 7 ↓

Analogs

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Popular Name: N-methyl-5-[(1S)-1-(methylamino)ethyl]-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine N-methyl-5-[(1S)-1-(methylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 7.15 -82.92 3 4 2 37 270.446 4 ↓
Hi High (pH 8-9.5) 1.87 5.87 -37.17 2 4 1 33 269.438 4 ↓
Hi High (pH 8-9.5) 1.87 3.5 -4.9 1 4 0 31 268.43 4 ↓

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(methylamino)ethyl]-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine N-methyl-5-[(1R)-1-(methylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 7.16 -81.94 3 4 2 37 270.446 4 ↓
Hi High (pH 8-9.5) 1.87 5.89 -37.32 2 4 1 33 269.438 4 ↓
Hi High (pH 8-9.5) 1.87 3.52 -5.67 1 4 0 31 268.43 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 7.99 -81.74 3 4 2 37 284.473 5 ↓
Hi High (pH 8-9.5) 2.25 4.45 -5.64 1 4 0 31 282.457 5 ↓
Hi High (pH 8-9.5) 2.25 6.82 -36.75 2 4 1 33 283.465 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[(3R)-1-methyl-3-piperidyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 7.99 -80.94 3 4 2 37 284.473 5 ↓
Hi High (pH 8-9.5) 2.25 6.79 -36.79 2 4 1 33 283.465 5 ↓
Hi High (pH 8-9.5) 2.25 4.41 -4.73 1 4 0 31 282.457 5 ↓

Analogs

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Popular Name: N-methyl-N-[(3R)-1-methyl-3-piperidyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(3R)-1-methyl-3-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 8.75 -82.81 3 4 2 37 298.5 6 ↓
Hi High (pH 8-9.5) 2.75 7.58 -36.63 2 4 1 33 297.492 6 ↓
Hi High (pH 8-9.5) 2.75 6.37 -37.68 2 4 1 36 297.492 6 ↓

Analogs

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Popular Name: N-methyl-N-[(3R)-1-methyl-3-piperidyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(3R)-1-methyl-3-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 8.74 -81.87 3 4 2 37 298.5 6 ↓
Hi High (pH 8-9.5) 2.75 6.38 -37.8 2 4 1 36 297.492 6 ↓
Hi High (pH 8-9.5) 2.75 7.54 -36.65 2 4 1 33 297.492 6 ↓

Analogs

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Popular Name: 2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazole-5-carboxylic 2-[methyl-[(3S)-1-methyl-3-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 7.27 -75.44 1 5 0 61 255.343 3 ↓
Hi High (pH 8-9.5) 1.32 4.9 -51.18 0 5 -1 59 254.335 3 ↓
Lo Low (pH 4.5-6) 1.32 7.66 -87.57 2 5 1 62 256.351 3 ↓

Analogs

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Popular Name: 2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazole-5-carboxylic 2-[methyl-[(3R)-1-methyl-3-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 7.28 -75.1 1 5 0 61 255.343 3 ↓
Hi High (pH 8-9.5) 1.32 4.9 -51.21 0 5 -1 59 254.335 3 ↓
Lo Low (pH 4.5-6) 1.32 7.67 -87.4 2 5 1 62 256.351 3 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[(3R)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 5.28 -39.54 2 4 1 41 270.422 3 ↓
Hi High (pH 8-9.5) 1.54 2.9 -8.19 1 4 0 40 269.414 3 ↓
Lo Low (pH 4.5-6) 1.54 5.63 -82.23 3 4 2 42 271.43 3 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[(3S)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 5.28 -39.5 2 4 1 41 270.422 3 ↓
Hi High (pH 8-9.5) 1.54 2.9 -8.24 1 4 0 40 269.414 3 ↓
Lo Low (pH 4.5-6) 1.54 5.63 -81.6 3 4 2 42 271.43 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazol-5-yl]methanol [2-[methyl-[(3S)-1-methyl-3-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 3.99 -39.58 2 4 1 41 242.368 3 ↓
Hi High (pH 8-9.5) 1.09 1.62 -8.18 1 4 0 40 241.36 3 ↓
Lo Low (pH 4.5-6) 1.09 4.37 -84.38 3 4 2 42 243.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]methanol [2-[methyl-[(3R)-1-methyl-3-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 3.99 -39.84 2 4 1 41 242.368 3 ↓
Hi High (pH 8-9.5) 1.09 1.62 -8.13 1 4 0 40 241.36 3 ↓
Lo Low (pH 4.5-6) 1.09 4.38 -83.55 3 4 2 42 243.376 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanol (1S)-1-[2-[methyl-[(3R)-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.79 -39.18 2 4 1 41 256.395 3 ↓
Hi High (pH 8-9.5) 1.32 2.41 -7.95 1 4 0 40 255.387 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanol (1R)-1-[2-[methyl-[(3R)-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.78 -39.45 2 4 1 41 256.395 3 ↓
Hi High (pH 8-9.5) 1.32 2.4 -7.89 1 4 0 40 255.387 3 ↓

Analogs

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Popular Name: 4-methyl-2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[(3R)-1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 6.9 -45.23 1 4 1 38 254.379 3 ↓
Hi High (pH 8-9.5) 1.76 4.52 -9.23 0 4 0 36 253.371 3 ↓

Analogs

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Popular Name: 4-methyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[(3S)-1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 6.9 -44.85 1 4 1 38 254.379 3 ↓
Hi High (pH 8-9.5) 1.76 4.51 -9.29 0 4 0 36 253.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[(3R)-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 7.63 -44.75 1 4 1 38 268.406 4 ↓
Hi High (pH 8-9.5) 2.34 5.25 -8.72 0 4 0 36 267.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[(3S)-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 7.62 -44.45 1 4 1 38 268.406 4 ↓
Hi High (pH 8-9.5) 2.34 5.24 -8.74 0 4 0 36 267.398 4 ↓

Parameters Provided:

ring.id = 157583
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 157583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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