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Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]thiazole-5-carbaldehyde 2-[cyclopentyl(methyl)amino]thia…

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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) 2.52 6.01 -7.91 0 3 0 33 210.302 3 ↓

Analogs

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Popular Name: 1-[2-[cyclopentyl(methyl)amino]thiazol-5-yl]ethanone 1-[2-[cyclopentyl(methyl)amino]t…

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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) 2.63 6.78 -9.08 0 3 0 33 224.329 3 ↓

Analogs

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Popular Name: 1-[2-[cyclopentyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[cyclopentyl(methyl)amino]-…

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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) 2.85 7.4 -7.96 0 3 0 33 238.356 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl(ethyl)amino]thiazole-5-carbaldehyde 2-[cyclopentyl(ethyl)amino]thiaz…

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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) 2.90 7.15 -7.65 0 3 0 33 224.329 4 ↓

Analogs

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Popular Name: 1-[2-[cyclopentyl(ethyl)amino]thiazol-5-yl]ethanone 1-[2-[cyclopentyl(ethyl)amino]th…

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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) 3.01 7.82 -9.04 0 3 0 33 238.356 4 ↓

Analogs

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Popular Name: 1-[2-[cyclopentyl(ethyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[cyclopentyl(ethyl)amino]-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) 3.23 8.52 -7.64 0 3 0 33 252.383 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-cyclopentyl-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-cyclopen…

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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) 0.82 5.49 -43.62 3 3 1 44 240.396 3 ↓
Mid Mid (pH 6-8) 0.82 5.15 -5.54 2 3 0 42 239.388 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-cyclopentyl-N,4-dimethyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-cyclopen…

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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) 0.82 5.5 -43.32 3 3 1 44 240.396 3 ↓
Mid Mid (pH 6-8) 0.82 5.16 -5.83 2 3 0 42 239.388 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cyclopentyl-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-cyclopentyl-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) 1.92 4.32 -44.55 3 3 1 44 212.342 3 ↓
Mid Mid (pH 6-8) 1.92 3.92 -5.43 2 3 0 42 211.334 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-cyclopentyl-N-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-cyclopen…

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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) 0.60 4.99 -43.17 3 3 1 44 226.369 3 ↓
Mid Mid (pH 6-8) 0.60 4.65 -4.48 2 3 0 42 225.361 3 ↓

Analogs

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

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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) 0.60 4.99 -43.09 3 3 1 44 226.369 3 ↓
Mid Mid (pH 6-8) 0.60 4.66 -5.34 2 3 0 42 225.361 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-cyclopen…

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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) 1.20 6.6 -41.85 3 3 1 44 254.423 4 ↓
Mid Mid (pH 6-8) 1.20 6.25 -4.85 2 3 0 42 253.415 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-cyclopen…

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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) 1.20 6.6 -41.45 3 3 1 44 254.423 4 ↓
Mid Mid (pH 6-8) 1.20 6.26 -5.04 2 3 0 42 253.415 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cyclopentyl-N-ethyl-thiazol-2-amine 5-(aminomethyl)-N-cyclopentyl-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) 2.29 5.44 -42.98 3 3 1 44 226.369 4 ↓
Mid Mid (pH 6-8) 2.29 5.04 -4.87 2 3 0 42 225.361 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-cyclopen…

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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) 0.97 6.11 -41.8 3 3 1 44 240.396 4 ↓
Mid Mid (pH 6-8) 0.97 5.78 -4.5 2 3 0 42 239.388 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-cyclopentyl-N-ethyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-cyclopen…

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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) 0.97 6.11 -41.89 3 3 1 44 240.396 4 ↓
Mid Mid (pH 6-8) 0.97 5.78 -4.69 2 3 0 42 239.388 4 ↓

Analogs

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

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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) 3.07 7.21 -38.34 2 3 1 33 254.423 4 ↓
Hi High (pH 8-9.5) 3.07 5.93 -5.56 1 3 0 28 253.415 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-cyclopentyl-N,4-dimethyl-5-[(1…

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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) 3.07 7.23 -38.04 2 3 1 33 254.423 4 ↓
Hi High (pH 8-9.5) 3.07 5.92 -4.78 1 3 0 28 253.415 4 ↓

Analogs

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Popular Name: N-cyclopentyl-5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-thiazol-2-amine N-cyclopentyl-5-[(1S)-1-(ethylam…

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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) 3.45 8.04 -36.85 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.45 6.86 -5.31 1 3 0 28 267.442 5 ↓

Analogs

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

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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) 3.45 8.06 -36.74 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.45 6.85 -4.61 1 3 0 28 267.442 5 ↓

Analogs

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

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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) 3.95 8.81 -37.46 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 3.95 7.61 -5.17 1 3 0 28 281.469 6 ↓

Analogs

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

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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) 3.95 8.81 -37.33 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 3.95 7.61 -4.43 1 3 0 28 281.469 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-cyclopentyl-N-methyl-5-(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) 2.29 6.19 -39.03 2 3 1 33 226.369 4 ↓
Hi High (pH 8-9.5) 2.29 4.75 -4.94 1 3 0 28 225.361 4 ↓

Analogs

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Popular Name: N-cyclopentyl-5-(ethylaminomethyl)-N-methyl-thiazol-2-amine N-cyclopentyl-5-(ethylaminomethy…

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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) 2.67 7.05 -38.12 2 3 1 33 240.396 5 ↓
Hi High (pH 8-9.5) 2.67 5.68 -4.7 1 3 0 28 239.388 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-methyl-5-(propylaminomethyl)thiazol-2-amine N-cyclopentyl-N-methyl-5-(propyl…

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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) 3.17 7.8 -38.91 2 3 1 33 254.423 6 ↓
Hi High (pH 8-9.5) 3.17 6.45 -4.6 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: N-cyclopentyl-5-[(isopropylamino)methyl]-N-methyl-thiazol-2-amine N-cyclopentyl-5-[(isopropylamino…

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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) 2.96 7.58 -36.49 2 3 1 33 254.423 5 ↓
Hi High (pH 8-9.5) 2.96 6.38 -4.59 1 3 0 28 253.415 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-cyclopentyl-N-methyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-cy…

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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) 3.48 8.01 -34.58 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.48 6.76 -4.48 1 3 0 28 267.442 5 ↓

Analogs

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Popular Name: N-cyclopentyl-5-[(isobutylamino)methyl]-N-methyl-thiazol-2-amine N-cyclopentyl-5-[(isobutylamino)…

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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) 3.41 8.5 -38.82 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 3.41 7.28 -4.42 1 3 0 28 267.442 6 ↓

Analogs

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Popular Name: N-cyclopentyl-5-[(2-methoxyethylamino)methyl]-N-methyl-thiazol-2-amine N-cyclopentyl-5-[(2-methoxyethyl…

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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) 2.28 6.19 -38.64 2 4 1 42 270.422 7 ↓
Mid Mid (pH 6-8) 2.28 4.76 -6.56 1 4 0 37 269.414 7 ↓

Analogs

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

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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) 2.85 6.74 -37.81 2 3 1 33 240.396 4 ↓
Hi High (pH 8-9.5) 2.85 5.46 -4.25 1 3 0 28 239.388 4 ↓

Analogs

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

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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) 2.85 6.75 -37.79 2 3 1 33 240.396 4 ↓
Hi High (pH 8-9.5) 2.85 5.47 -5.08 1 3 0 28 239.388 4 ↓

Analogs

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Popular Name: N-cyclopentyl-5-[(1S)-1-(ethylamino)ethyl]-N-methyl-thiazol-2-amine N-cyclopentyl-5-[(1S)-1-(ethylam…

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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) 3.23 7.57 -36.42 2 3 1 33 254.423 5 ↓
Hi High (pH 8-9.5) 3.23 6.41 -4.89 1 3 0 28 253.415 5 ↓

Analogs

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Popular Name: N-cyclopentyl-5-[(1R)-1-(ethylamino)ethyl]-N-methyl-thiazol-2-amine N-cyclopentyl-5-[(1R)-1-(ethylam…

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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) 3.23 7.58 -36.36 2 3 1 33 254.423 5 ↓
Hi High (pH 8-9.5) 3.23 6.37 -4.03 1 3 0 28 253.415 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-methyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-cyclopentyl-N-methyl-5-[(1S)-1…

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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) 3.73 8.34 -37.05 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 3.73 7.17 -4.79 1 3 0 28 267.442 6 ↓

Analogs

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

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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) 3.73 8.34 -37.01 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 3.73 7.13 -3.91 1 3 0 28 267.442 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-4-methyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-cyclopentyl-N-ethyl-4-methyl-5…

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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) 3.45 8.29 -36.66 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.45 7.04 -4.78 1 3 0 28 267.442 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-4-methyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-cyclopentyl-N-ethyl-4-methyl-5…

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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) 3.45 8.33 -36.3 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.45 7.02 -4.1 1 3 0 28 267.442 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-[(1S)-1-(ethylamino)ethyl]-4-methyl-thiazol-2-amine N-cyclopentyl-N-ethyl-5-[(1S)-1-…

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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) 3.82 9.14 -35.09 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 3.82 7.95 -4.61 1 3 0 28 281.469 6 ↓

Analogs

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

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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) 3.82 9.15 -35.11 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 3.82 7.95 -4 1 3 0 28 281.469 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-4-methyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-cyclopentyl-N-ethyl-4-methyl-5…

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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) 4.33 9.9 -35.71 2 3 1 33 296.504 7 ↓
Hi High (pH 8-9.5) 4.33 8.71 -4.52 1 3 0 28 295.496 7 ↓

Analogs

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

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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) 4.33 9.91 -35.68 2 3 1 33 296.504 7 ↓
Hi High (pH 8-9.5) 4.33 8.7 -3.89 1 3 0 28 295.496 7 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-(methylaminomethyl)thiazol-2-amine N-cyclopentyl-N-ethyl-5-(methyla…

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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) 2.67 7.32 -37.54 2 3 1 33 240.396 5 ↓
Hi High (pH 8-9.5) 2.67 5.87 -4.36 1 3 0 28 239.388 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-(ethylaminomethyl)thiazol-2-amine N-cyclopentyl-N-ethyl-5-(ethylam…

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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) 3.04 8.17 -36.67 2 3 1 33 254.423 6 ↓
Hi High (pH 8-9.5) 3.04 6.8 -4.19 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-(propylaminomethyl)thiazol-2-amine N-cyclopentyl-N-ethyl-5-(propyla…

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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) 3.55 8.93 -37.43 2 3 1 33 268.45 7 ↓
Hi High (pH 8-9.5) 3.55 7.57 -4.01 1 3 0 28 267.442 7 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-[(isopropylamino)methyl]thiazol-2-amine N-cyclopentyl-N-ethyl-5-[(isopro…

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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) 3.34 8.7 -34.93 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 3.34 7.48 -4.06 1 3 0 28 267.442 6 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-cy…

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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) 3.85 9.12 -33.3 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 3.85 7.88 -3.84 1 3 0 28 281.469 6 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-[(isobutylamino)methyl]thiazol-2-amine N-cyclopentyl-N-ethyl-5-[(isobut…

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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) 3.79 9.62 -37.36 2 3 1 33 282.477 7 ↓
Hi High (pH 8-9.5) 3.79 8.25 -3.91 1 3 0 28 281.469 7 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]thiazol-2-amine N-cyclopentyl-N-ethyl-5-[(2-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) 2.65 7.31 -37.18 2 4 1 42 284.449 8 ↓
Mid Mid (pH 6-8) 2.65 5.89 -6.1 1 4 0 37 283.441 8 ↓

Analogs

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

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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) 3.23 7.86 -36.54 2 3 1 33 254.423 5 ↓
Hi High (pH 8-9.5) 3.23 6.6 -4.55 1 3 0 28 253.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-ethyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-cyclopentyl-N-ethyl-5-[(1S)-1-…

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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) 3.23 7.86 -36.65 2 3 1 33 254.423 5 ↓
Hi High (pH 8-9.5) 3.23 6.57 -3.73 1 3 0 28 253.415 5 ↓

Parameters Provided:

ring.id = 28020
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 28020 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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