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Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-(2-thienylmethyl)-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-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) 2.66 7.85 -30.45 1 2 1 17 306.274 4 ↓
Hi High (pH 8-9.5) 2.66 6.94 -5.48 0 2 0 16 305.266 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-methyl-N-(2-thienylmethyl)-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-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) 2.66 7.85 -30.54 1 2 1 17 306.274 4 ↓
Hi High (pH 8-9.5) 2.66 6.94 -5.44 0 2 0 16 305.266 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-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) 3.22 8.13 -30.03 1 2 1 17 320.301 4 ↓
Hi High (pH 8-9.5) 3.22 7.32 -5.19 0 2 0 16 319.293 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-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) 3.22 8.14 -30.05 1 2 1 17 320.301 4 ↓
Hi High (pH 8-9.5) 3.22 7.3 -5.21 0 2 0 16 319.293 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-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) 3.22 8.15 -30.1 1 2 1 17 320.301 4 ↓
Hi High (pH 8-9.5) 3.22 7.32 -5.15 0 2 0 16 319.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-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) 3.22 8.13 -30.03 1 2 1 17 320.301 4 ↓
Hi High (pH 8-9.5) 3.22 7.31 -5.21 0 2 0 16 319.293 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-[(5-chlor…

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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) 3.46 8.47 -32.52 1 2 1 17 340.719 4 ↓
Hi High (pH 8-9.5) 3.46 7.56 -5.07 0 2 0 16 339.711 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-[(5-chlor…

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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) 3.46 8.47 -32.61 1 2 1 17 340.719 4 ↓
Hi High (pH 8-9.5) 3.46 7.56 -5.01 0 2 0 16 339.711 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-[(4-bromo-2-thienyl)methyl]-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-[(4-bromo…

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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) 3.40 8.46 -32.04 1 2 1 17 385.17 4 ↓
Hi High (pH 8-9.5) 3.40 7.55 -5.82 0 2 0 16 384.162 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-[(4-bromo-2-thienyl)methyl]-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-[(4-bromo…

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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) 3.40 8.46 -32.18 1 2 1 17 385.17 4 ↓
Hi High (pH 8-9.5) 3.40 7.55 -5.77 0 2 0 16 384.162 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-ethyl-N-(2-thienylmethyl)-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-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) 3.04 8.8 -29.62 1 2 1 17 320.301 5 ↓
Hi High (pH 8-9.5) 3.04 7.88 -5.17 0 2 0 16 319.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-ethyl-N-(2-thienylmethyl)-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-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) 3.04 8.8 -29.77 1 2 1 17 320.301 5 ↓
Hi High (pH 8-9.5) 3.04 7.88 -5.13 0 2 0 16 319.293 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(2-thienyl)propyl]-4,5…

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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) 2.76 5.38 -26.75 2 2 1 26 227.378 4 ↓
Hi High (pH 8-9.5) 2.76 5.29 -7.41 1 2 0 24 226.37 3 ↓
Hi High (pH 8-9.5) 2.76 6.17 -26.36 2 2 1 26 227.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(2-thienyl)propyl]-4,5…

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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) 2.76 5.38 -26.57 2 2 1 26 227.378 4 ↓
Hi High (pH 8-9.5) 2.76 5.29 -7.37 1 2 0 24 226.37 3 ↓
Hi High (pH 8-9.5) 2.76 6.15 -26.88 2 2 1 26 227.378 3 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1S)-1-(2-thieny…

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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) 3.62 6.91 -25.01 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.62 6.87 -24.48 2 2 1 26 255.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1S)-1-(2-thieny…

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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) 3.62 6.91 -25.15 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.62 6.87 -24.7 2 2 1 26 255.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-ethyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1R)-1-(2-thieny…

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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) 3.62 6.91 -25.16 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.62 6.86 -24.69 2 2 1 26 255.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1R)-1-(2-thieny…

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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) 3.62 6.91 -24.99 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.62 6.86 -24.5 2 2 1 26 255.432 4 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(1S)-1-(2-thienyl)propyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1S)-1-(2-thieny…

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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) 3.56 6.75 -24.17 2 2 1 26 255.432 4 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(1R)-1-(2-thienyl)propyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1R)-1-(2-thieny…

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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) 3.56 6.75 -23.99 2 2 1 26 255.432 4 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1S)-1-(2-thien…

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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) 3.12 6.09 -25.76 2 2 1 26 241.405 4 ↓
Hi High (pH 8-9.5) 3.12 6 -7.12 1 2 0 24 240.397 3 ↓
Hi High (pH 8-9.5) 3.12 6.88 -25.76 2 2 1 26 241.405 3 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1R)-1-(2-thien…

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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) 3.12 6.09 -25.61 2 2 1 26 241.405 4 ↓
Hi High (pH 8-9.5) 3.12 6 -7.05 1 2 0 24 240.397 3 ↓
Hi High (pH 8-9.5) 3.12 6.86 -26.31 2 2 1 26 241.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1S)-1-(2-thien…

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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) 3.12 6.09 -25.97 2 2 1 26 241.405 4 ↓
Hi High (pH 8-9.5) 3.12 5.99 -7.11 1 2 0 24 240.397 3 ↓
Hi High (pH 8-9.5) 3.12 6.87 -25.63 2 2 1 26 241.405 3 ↓

Analogs

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Popular Name: (5R)-5-methyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1R)-1-(2-thien…

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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) 3.12 6.09 -25.89 2 2 1 26 241.405 4 ↓
Hi High (pH 8-9.5) 3.12 6.86 -26.15 2 2 1 26 241.405 3 ↓
Hi High (pH 8-9.5) 3.12 5.99 -7.07 1 2 0 24 240.397 3 ↓

Analogs

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Popular Name: (4R)-4-methyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1S)-1-(2-thien…

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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) 3.08 6.12 -25.66 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: (4R)-4-methyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1R)-1-(2-thien…

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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) 3.08 6.12 -25.41 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: (4S)-4-methyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1S)-1-(2-thien…

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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) 3.08 6.11 -25.31 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: (4S)-4-methyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1R)-1-(2-thien…

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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) 3.08 6.11 -25.09 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(1S)-1-(2-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) 4.39 8.19 -25.71 2 2 1 26 283.486 6 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(1R)-1-(2-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) 4.39 8.19 -25.89 2 2 1 26 283.486 6 ↓

Analogs

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Popular Name: (4S)-4-isobutyl-N-[(1S)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(1S)-1-(2-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) 4.39 8.2 -25.8 2 2 1 26 283.486 6 ↓

Analogs

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Popular Name: (4S)-4-isobutyl-N-[(1R)-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(1R)-1-(2-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) 4.39 8.2 -25.64 2 2 1 26 283.486 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(2-thienyl)butyl]-4,5-…

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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) 3.31 6.12 -27.05 2 2 1 26 241.405 5 ↓
Hi High (pH 8-9.5) 3.31 6.95 -26.85 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(2-thienyl)butyl]-4,5-…

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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) 3.31 6.12 -26.85 2 2 1 26 241.405 5 ↓
Hi High (pH 8-9.5) 3.31 6.9 -27.35 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1S)-1-(2-thieny…

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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) 4.18 8.43 -25.78 2 2 1 26 269.459 6 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1R)-1-(2-thieny…

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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) 4.18 8.43 -25.91 2 2 1 26 269.459 6 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1S)-1-(2-thieny…

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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) 4.18 8.44 -25.89 2 2 1 26 269.459 6 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1R)-1-(2-thieny…

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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) 4.18 8.44 -25.75 2 2 1 26 269.459 6 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(1S)-1-(2-thienyl)butyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1S)-1-(2-thieny…

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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) 4.12 8.28 -25.04 2 2 1 26 269.459 5 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(1R)-1-(2-thienyl)butyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1R)-1-(2-thieny…

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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) 4.12 8.28 -24.75 2 2 1 26 269.459 5 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1S)-1-(2-thien…

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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) 3.68 7.62 -26.74 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.68 7.61 -26.11 2 2 1 26 255.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1R)-1-(2-thien…

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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) 3.68 7.62 -26.53 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.68 7.63 -26.03 2 2 1 26 255.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1S)-1-(2-thien…

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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) 3.68 7.62 -26.8 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.68 7.6 -25.99 2 2 1 26 255.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1R)-1-(2-thien…

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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) 3.68 7.62 -26.86 2 2 1 26 255.432 5 ↓
Hi High (pH 8-9.5) 3.68 7.62 -25.7 2 2 1 26 255.432 4 ↓

Analogs

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Popular Name: (4R)-4-methyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1S)-1-(2-thien…

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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) 3.64 7.65 -26.56 2 2 1 26 255.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1R)-1-(2-thien…

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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) 3.64 7.65 -26.22 2 2 1 26 255.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(1S)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1S)-1-(2-thien…

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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) 3.64 7.64 -25.99 2 2 1 26 255.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(1R)-1-(2-thienyl)butyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1R)-1-(2-thien…

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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) 3.64 7.64 -25.91 2 2 1 26 255.432 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine N-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 3.00 6.5 -27.16 2 2 1 26 241.405 4 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4,5-dihydrothiazol-2-amine N-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 3.00 6.1 -26.73 2 2 1 26 241.405 4 ↓

Parameters Provided:

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