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Analogs

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Popular Name: 2-[methyl-[(5-methyl-2-furyl)methyl]amino]thiazole-5-carbaldehyde 2-[methyl-[(5-methyl-2-furyl)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) 2.00 6.16 -9.71 0 4 0 46 236.296 4 ↓

Analogs

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

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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) 2.11 6.87 -11.09 0 4 0 46 250.323 4 ↓

Analogs

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Popular Name: 1-[4-methyl-2-[methyl-[(5-methyl-2-furyl)methyl]amino]thiazol-5-yl]ethanone 1-[4-methyl-2-[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) 2.33 7.48 -9.5 0 4 0 46 264.35 4 ↓

Analogs

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Popular Name: 2-[2-furylmethyl(methyl)amino]thiazole-5-carbaldehyde 2-[2-furylmethyl(methyl)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) 1.78 5.34 -9.72 0 4 0 46 222.269 4 ↓

Analogs

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Popular Name: 1-[2-[2-furylmethyl(methyl)amino]thiazol-5-yl]ethanone 1-[2-[2-furylmethyl(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) 1.89 6.04 -12.54 0 4 0 46 236.296 4 ↓

Analogs

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Popular Name: 1-[2-[2-furylmethyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[2-furylmethyl(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) 2.11 6.66 -11.62 0 4 0 46 250.323 4 ↓

Analogs

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Popular Name: 2-[ethyl(2-furylmethyl)amino]thiazole-5-carbaldehyde 2-[ethyl(2-furylmethyl)amino]thi…

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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) 2.15 6.28 -9.21 0 4 0 46 236.296 5 ↓

Analogs

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Popular Name: 1-[2-[ethyl(2-furylmethyl)amino]thiazol-5-yl]ethanone 1-[2-[ethyl(2-furylmethyl)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) 2.26 6.99 -10.7 0 4 0 46 250.323 5 ↓

Analogs

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Popular Name: 1-[2-[ethyl(2-furylmethyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[ethyl(2-furylmethyl)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) 2.48 7.6 -8.95 0 4 0 46 264.35 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[(5-methyl-2-furyl)methyl]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) 0.30 5.64 -45.76 3 4 1 57 266.39 4 ↓
Mid Mid (pH 6-8) 0.30 5.3 -6.58 2 4 0 55 265.382 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N,4-dimethyl-N-[(5-methyl-2-furyl)methyl]thiazol-2-amine 5-[(1S)-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) 0.30 5.64 -44.96 3 4 1 57 266.39 4 ↓
Mid Mid (pH 6-8) 0.30 5.32 -7.6 2 4 0 55 265.382 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(5-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) 1.40 4.46 -46.55 3 4 1 57 238.336 4 ↓
Mid Mid (pH 6-8) 1.40 4.06 -7.21 2 4 0 55 237.328 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 0.08 5.13 -45.43 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) 0.08 4.8 -6.35 2 4 0 55 251.355 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 0.08 5.13 -45.01 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) 0.08 4.8 -7.27 2 4 0 55 251.355 4 ↓

Analogs

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

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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) 0.08 4.81 -46.53 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) 0.08 4.48 -9.36 2 4 0 55 251.355 4 ↓

Analogs

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

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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) 0.08 4.82 -46.81 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) 0.08 4.5 -8.39 2 4 0 55 251.355 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(2-furylmethyl)-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-(2-furylmethyl…

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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) 1.17 3.64 -46.42 3 4 1 57 224.309 4 ↓
Mid Mid (pH 6-8) 1.17 3.23 -7.06 2 4 0 55 223.301 4 ↓

Analogs

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

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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) -0.15 4.31 -46.69 3 4 1 57 238.336 4 ↓
Mid Mid (pH 6-8) -0.15 3.97 -8.9 2 4 0 55 237.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.15 4.31 -46.17 3 4 1 57 238.336 4 ↓
Mid Mid (pH 6-8) -0.15 3.97 -8.58 2 4 0 55 237.328 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-ethyl-N-(2-furylmethyl)-4-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-ethyl-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) 0.45 5.76 -45.04 3 4 1 57 266.39 5 ↓
Mid Mid (pH 6-8) 0.45 5.41 -6.83 2 4 0 55 265.382 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-ethyl-N-(2-furylmethyl)-4-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-ethyl-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) 0.45 5.77 -44.41 3 4 1 57 266.39 5 ↓
Mid Mid (pH 6-8) 0.45 5.43 -7.08 2 4 0 55 265.382 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-ethyl-N-(2-furylmethyl)thiazol-2-amine 5-(aminomethyl)-N-ethyl-N-(2-fur…

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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) 1.55 4.58 -45.96 3 4 1 57 238.336 5 ↓
Mid Mid (pH 6-8) 1.55 4.18 -6.73 2 4 0 55 237.328 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-ethyl-N-(2-furylmethyl)thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-ethyl-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) 0.23 5.25 -44.64 3 4 1 57 252.363 5 ↓
Mid Mid (pH 6-8) 0.23 4.93 -6.28 2 4 0 55 251.355 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-ethyl-N-(2-furylmethyl)thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-ethyl-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) 0.23 5.25 -45.07 3 4 1 57 252.363 5 ↓
Mid Mid (pH 6-8) 0.23 4.92 -6.57 2 4 0 55 251.355 5 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(5-methyl-2-furyl)methyl]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) 2.55 7.34 -40.41 2 4 1 46 280.417 5 ↓
Hi High (pH 8-9.5) 2.55 6.07 -7.15 1 4 0 41 279.409 5 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]-N-[(5-methyl-2-furyl)methyl]thiazol-2-amine N,4-dimethyl-5-[(1S)-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) 2.55 7.36 -39.7 2 4 1 46 280.417 5 ↓
Hi High (pH 8-9.5) 2.55 6.06 -6.49 1 4 0 41 279.409 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(5-methyl-2-furyl)methyl]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) 2.93 8.18 -40.7 2 4 1 46 294.444 6 ↓
Hi High (pH 8-9.5) 2.93 7 -9.21 1 4 0 41 293.436 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(5-methyl-2-furyl)methyl]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) 2.93 8.2 -40.06 2 4 1 46 294.444 6 ↓
Hi High (pH 8-9.5) 2.93 7 -8.51 1 4 0 41 293.436 6 ↓

Analogs

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

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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) 3.43 8.95 -41.22 2 4 1 46 308.471 7 ↓
Hi High (pH 8-9.5) 3.43 7.76 -9.11 1 4 0 41 307.463 7 ↓

Analogs

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

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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) 3.43 8.96 -40.57 2 4 1 46 308.471 7 ↓
Hi High (pH 8-9.5) 3.43 7.75 -8.33 1 4 0 41 307.463 7 ↓

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[(5-methyl-2-furyl)methyl]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) 1.77 6.34 -41.05 2 4 1 46 252.363 5 ↓
Hi High (pH 8-9.5) 1.77 4.89 -6.68 1 4 0 41 251.355 5 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 2.15 7.19 -41.88 2 4 1 46 266.39 6 ↓
Hi High (pH 8-9.5) 2.15 5.82 -8.75 1 4 0 41 265.382 6 ↓

Analogs

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Popular Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-5-(propylaminomethyl)thiazol-2-amine N-methyl-N-[(5-methyl-2-furyl)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) 2.65 7.95 -42.64 2 4 1 46 280.417 7 ↓
Hi High (pH 8-9.5) 2.65 6.59 -8.62 1 4 0 41 279.409 7 ↓

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 2.44 7.73 -38.59 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.44 6.52 -6.36 1 4 0 41 279.409 6 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 2.96 8.15 -36.66 2 4 1 46 294.444 6 ↓
Hi High (pH 8-9.5) 2.96 6.9 -6.19 1 4 0 41 293.436 6 ↓

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 2.89 8.64 -40.81 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 2.89 7.27 -6.31 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 1.75 6.33 -40.8 2 5 1 55 296.416 8 ↓
Mid Mid (pH 6-8) 1.75 4.91 -8.43 1 5 0 51 295.408 8 ↓

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(methylamino)ethyl]-N-[(5-methyl-2-furyl)methyl]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) 2.33 6.84 -40.17 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.33 5.58 -6.8 1 4 0 41 265.382 5 ↓

Analogs

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Popular Name: N-methyl-5-[(1S)-1-(methylamino)ethyl]-N-[(5-methyl-2-furyl)methyl]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) 2.33 6.85 -39.71 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.33 5.55 -6.12 1 4 0 41 265.382 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 2.70 7.69 -40.29 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.70 6.51 -8.87 1 4 0 41 279.409 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]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) 2.70 7.69 -39.89 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.70 6.47 -8.22 1 4 0 41 279.409 6 ↓

Analogs

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Popular Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(5-methyl-2-furyl)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) 3.21 8.45 -40.93 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 3.21 7.26 -8.76 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(5-methyl-2-furyl)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) 3.21 8.45 -40.47 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 3.21 7.23 -8.09 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-(2-furylmethyl)-N,4-dimethyl-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) 2.33 6.53 -41.25 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.33 5.24 -9.09 1 4 0 41 265.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-(2-furylmethyl)-N,4-dimethyl-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) 2.33 6.55 -41.53 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.33 5.24 -8.31 1 4 0 41 265.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-(2-furylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-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) 2.70 7.36 -40.25 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.70 6.18 -8.76 1 4 0 41 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-(2-furylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-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) 2.70 7.38 -39.73 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.70 6.17 -8.04 1 4 0 41 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N,4-dimethyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-(2-furylmethyl)-N,4-dimethyl-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) 3.21 8.12 -40.92 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 3.21 6.93 -8.62 1 4 0 41 293.436 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N,4-dimethyl-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-(2-furylmethyl)-N,4-dimethyl-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) 3.21 8.14 -40.21 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 3.21 6.93 -7.89 1 4 0 41 293.436 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-(2-furylmethyl)-N-methyl-5-(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) 1.55 5.51 -42.5 2 4 1 46 238.336 5 ↓
Hi High (pH 8-9.5) 1.55 4.07 -8.44 1 4 0 41 237.328 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 29182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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