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Analogs

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Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-3-(4-isopropylthiazol-2-yl)…

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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) 1.12 1.02 -10.88 2 4 0 73 274.411 2 ↓
Lo Low (pH 4.5-6) 1.12 1.29 -42.46 3 4 1 75 275.419 2 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-3-(4-isopropylthiazol-2-yl)…

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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) 1.12 1.02 -10.99 2 4 0 73 274.411 2 ↓
Lo Low (pH 4.5-6) 1.12 1.28 -42.33 3 4 1 75 275.419 2 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

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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) 1.79 1.57 -10.49 2 4 0 73 288.438 2 ↓
Lo Low (pH 4.5-6) 1.79 1.83 -42.56 3 4 1 75 289.446 2 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-3-(4-tert-butylthiazol-2-yl…

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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) 1.79 1.59 -10.56 2 4 0 73 288.438 2 ↓
Lo Low (pH 4.5-6) 1.79 1.84 -42.51 3 4 1 75 289.446 2 ↓

Analogs

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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) 0.86 1.23 -11.19 2 4 0 73 274.411 2 ↓
Lo Low (pH 4.5-6) 0.86 1.49 -42 3 4 1 75 275.419 2 ↓

Analogs

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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) 0.86 1.22 -11.34 2 4 0 73 274.411 2 ↓
Lo Low (pH 4.5-6) 0.86 1.49 -41.83 3 4 1 75 275.419 2 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(4,5-dimethylthiazol-2-yl…

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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) 0.66 1.57 -11.33 1 4 0 59 274.411 2 ↓
Mid Mid (pH 6-8) 0.66 2.18 -41.32 2 4 1 64 275.419 2 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(4,5-dimethylthiazol-2-yl…

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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) 0.66 1.7 -11.38 1 4 0 59 274.411 2 ↓
Mid Mid (pH 6-8) 0.66 2.22 -41.28 2 4 1 64 275.419 2 ↓

Analogs

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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) 1.23 2.86 -10.98 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.23 3.56 -38.1 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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) 1.23 2.44 -11.37 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.23 3.61 -37.93 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(4-isopropylthiazol-2-yl)…

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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) 1.49 2.65 -10.6 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.49 3.35 -38.5 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(4-isopropylthiazol-2-yl)…

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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) 1.49 2.24 -10.85 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.49 3.4 -38.39 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

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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) 2.16 3.2 -10.23 1 4 0 59 302.465 3 ↓
Mid Mid (pH 6-8) 2.16 3.91 -38.7 2 4 1 64 303.473 3 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(4-tert-butylthiazol-2-yl…

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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) 2.16 2.8 -10.54 1 4 0 59 302.465 3 ↓
Mid Mid (pH 6-8) 2.16 3.96 -38.67 2 4 1 64 303.473 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-N-ethyl-3-(4-methylthiazol-…

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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) 0.81 2.27 -10.73 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.81 2.93 -36.88 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-N-ethyl-3-(4-methylthiazol-…

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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) 0.81 1.81 -10.83 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.81 2.88 -36.9 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-N-ethyl-1,1-dioxo-thian-3-amine (3R)-3-(4,5-dimethylthiazol-2-yl…

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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) 1.03 2.42 -11.07 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.03 2.97 -38.91 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-N-ethyl-1,1-dioxo-thian-3-amine (3S)-3-(4,5-dimethylthiazol-2-yl…

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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) 1.03 2.48 -11.07 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.03 2.99 -38.95 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-N-ethyl-3-(4-ethyl-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) 1.61 3.7 -10.7 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.61 4.35 -36.43 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-N-ethyl-3-(4-ethyl-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) 1.61 3.29 -11.09 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.61 4.41 -36.41 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-N-ethyl-3-(4-isopropylthiaz…

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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 3.54 -10.46 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.87 4.2 -36.87 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3S)-N-ethyl-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-N-ethyl-3-(4-isopropylthiaz…

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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 3.08 -10.5 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.87 4.15 -36.87 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-ethyl-1,1-dioxo-thian-3-amine (3R)-3-(4-tert-butylthiazol-2-yl…

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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) 2.54 4.1 -10.1 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.54 4.76 -37.01 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-ethyl-1,1-dioxo-thian-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

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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) 2.54 3.64 -10.19 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.54 4.71 -37.04 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-propyl-3-thiazol-2-yl-thian-3-amine (3R)-1,1-dioxo-N-propyl-3-thiazo…

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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 1.83 -10.54 1 4 0 59 274.411 4 ↓
Mid Mid (pH 6-8) 1.09 2.39 -39.46 2 4 1 64 275.419 4 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-propyl-3-thiazol-2-yl-thian-3-amine (3S)-1,1-dioxo-N-propyl-3-thiazo…

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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 1.89 -10.69 1 4 0 59 274.411 4 ↓
Mid Mid (pH 6-8) 1.09 2.39 -39.54 2 4 1 64 275.419 4 ↓

Analogs

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Popular Name: (3R)-3-(4-methylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3R)-3-(4-methylthiazol-2-yl)-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) 1.32 3.03 -10.6 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.32 3.69 -37.13 2 4 1 64 289.446 4 ↓

Analogs

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Popular Name: (3S)-3-(4-methylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3S)-3-(4-methylthiazol-2-yl)-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) 1.32 2.56 -10.76 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.32 3.65 -37.24 2 4 1 64 289.446 4 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3R)-3-(4,5-dimethylthiazol-2-yl…

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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 3.18 -10.89 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.54 3.74 -38.88 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3S)-3-(4,5-dimethylthiazol-2-yl…

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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 3.24 -11.02 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.54 3.75 -38.95 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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 4.51 -10.7 1 4 0 59 316.492 5 ↓
Mid Mid (pH 6-8) 2.11 5.18 -36.58 2 4 1 64 317.5 5 ↓

Analogs

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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 4.04 -10.81 1 4 0 59 316.492 5 ↓
Mid Mid (pH 6-8) 2.11 5.12 -36.68 2 4 1 64 317.5 5 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3R)-3-(4-isopropylthiazol-2-yl)…

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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) 2.37 4.3 -10.29 1 4 0 59 316.492 5 ↓
Mid Mid (pH 6-8) 2.37 4.97 -37.04 2 4 1 64 317.5 5 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3S)-3-(4-isopropylthiazol-2-yl)…

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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) 2.37 3.83 -10.42 1 4 0 59 316.492 5 ↓
Mid Mid (pH 6-8) 2.37 4.91 -37.12 2 4 1 64 317.5 5 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3R)-3-(4-tert-butylthiazol-2-yl…

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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 4.86 -9.93 1 4 0 59 330.519 5 ↓
Mid Mid (pH 6-8) 3.04 5.53 -37.28 2 4 1 64 331.527 5 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

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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 4.39 -10.09 1 4 0 59 330.519 5 ↓
Mid Mid (pH 6-8) 3.04 5.47 -37.34 2 4 1 64 331.527 5 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-1,1-dioxo-3-thiazol-2-yl-thian-3-amine (3R)-N-isopropyl-1,1-dioxo-3-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) 0.89 1.18 -9.96 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.89 2.39 -35.22 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-1,1-dioxo-3-thiazol-2-yl-thian-3-amine (3S)-N-isopropyl-1,1-dioxo-3-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) 0.89 0.71 -11.35 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.89 2 -37.9 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-N-isopropyl-3-(4-methylthia…

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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) 1.11 2.05 -10.95 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.11 2.84 -36.7 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-N-isopropyl-3-(4-methylthia…

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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) 1.11 2.74 -9.85 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.11 2.93 -39.08 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3S)-3-(4,5-dimethylthiazol-2-yl…

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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) 1.33 2.62 -10.45 1 4 0 59 302.465 3 ↓
Mid Mid (pH 6-8) 1.33 3.53 -37.49 2 4 1 64 303.473 3 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3R)-3-(4,5-dimethylthiazol-2-yl…

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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) 1.33 2.13 -11.84 1 4 0 59 302.465 3 ↓
Mid Mid (pH 6-8) 1.33 3.69 -35.35 2 4 1 64 303.473 3 ↓

Analogs

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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) 1.90 3.53 -11.08 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 1.90 4.16 -38.54 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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) 1.90 4.22 -9.92 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 1.90 4.24 -36.36 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-N-isopropyl-3-(4-isopropylt…

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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) 2.17 3.32 -10.63 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.17 3.95 -39.08 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-N-isopropyl-3-(4-isopropylt…

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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) 2.17 4.01 -9.58 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.17 4.04 -36.87 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3R)-3-(4-tert-butylthiazol-2-yl…

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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) 2.83 4.22 -11.21 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.83 4.77 -38.84 2 4 1 64 331.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

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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) 2.83 4.61 -9.2 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.83 4.67 -36.66 2 4 1 64 331.527 4 ↓

Analogs

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Popular Name: (3S)-N-(2-methoxyethyl)-3-(4-methylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-N-(2-methoxyethyl)-3-(4-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) 0.42 1.32 -11.73 1 5 0 68 304.437 5 ↓
Lo Low (pH 4.5-6) 0.42 2.04 -36.11 2 5 1 73 305.445 5 ↓

Analogs

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Popular Name: (3R)-N-(2-methoxyethyl)-3-(4-methylthiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-N-(2-methoxyethyl)-3-(4-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) 0.42 1.02 -12.01 1 5 0 68 304.437 5 ↓
Lo Low (pH 4.5-6) 0.42 2.08 -37.45 2 5 1 73 305.445 5 ↓

Parameters Provided:

ring.id = 288333
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 = 288333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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