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Analogs

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Popular Name: 2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carbaldehyde 2-[methyl(tetrahydropyran-4-yl)a…

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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) 1.50 4.22 -8.47 0 4 0 42 226.301 3 ↓

Analogs

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

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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 4.92 -9.69 0 4 0 42 240.328 3 ↓

Analogs

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

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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) 1.83 5.58 -8.31 0 4 0 42 254.355 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-tetrahydropyran-4-yl-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) -0.21 3.67 -44.74 3 4 1 53 256.395 3 ↓
Mid Mid (pH 6-8) -0.21 3.33 -5.93 2 4 0 51 255.387 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N,4-dimethyl-N-tetrahydropyran-4-yl-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) -0.21 3.68 -44.43 3 4 1 53 256.395 3 ↓
Mid Mid (pH 6-8) -0.21 3.34 -6.16 2 4 0 51 255.387 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(aminomethyl)-N-methyl-N-tetra…

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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 2.51 -45.81 3 4 1 53 228.341 3 ↓
Mid Mid (pH 6-8) 0.89 2.1 -5.74 2 4 0 51 227.333 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-tetrahydropyran-4-yl-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) -0.43 3.18 -44.52 3 4 1 53 242.368 3 ↓
Mid Mid (pH 6-8) -0.43 2.85 -5.61 2 4 0 51 241.36 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-tetrahydropyran-4-yl-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) -0.43 3.18 -44.45 3 4 1 53 242.368 3 ↓
Mid Mid (pH 6-8) -0.43 2.84 -5.34 2 4 0 51 241.36 3 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-tetrahydropyran-4-yl-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) 2.05 5.39 -39.42 2 4 1 42 270.422 4 ↓
Hi High (pH 8-9.5) 2.05 4.1 -5.92 1 4 0 37 269.414 4 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]-N-tetrahydropyran-4-yl-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) 2.05 5.41 -39.19 2 4 1 42 270.422 4 ↓
Hi High (pH 8-9.5) 2.05 4.1 -5.19 1 4 0 37 269.414 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-tetrahydropyran-4-yl-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) 2.42 6.22 -37.92 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 2.42 5.04 -5.66 1 4 0 37 283.441 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-tetrahydropyran-4-yl-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) 2.42 6.24 -37.85 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 2.42 5.03 -4.98 1 4 0 37 283.441 5 ↓

Analogs

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

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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 6.98 -38.55 2 4 1 42 298.476 6 ↓
Hi High (pH 8-9.5) 2.93 5.79 -5.51 1 4 0 37 297.468 6 ↓

Analogs

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

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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 7 -38.42 2 4 1 42 298.476 6 ↓
Hi High (pH 8-9.5) 2.93 5.79 -4.88 1 4 0 37 297.468 6 ↓

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-tetrahydropyran-4-yl-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) 1.27 4.38 -40.33 2 4 1 42 242.368 4 ↓
Hi High (pH 8-9.5) 1.27 2.94 -5.26 1 4 0 37 241.36 4 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 5.24 -39.46 2 4 1 42 256.395 5 ↓
Hi High (pH 8-9.5) 1.64 3.87 -5.1 1 4 0 37 255.387 5 ↓

Analogs

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Popular Name: N-methyl-5-(propylaminomethyl)-N-tetrahydropyran-4-yl-thiazol-2-amine N-methyl-5-(propylaminomethyl)-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 5.99 -40.23 2 4 1 42 270.422 6 ↓
Hi High (pH 8-9.5) 2.15 4.63 -4.98 1 4 0 37 269.414 6 ↓

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-[(isopropylamino)methyl]-N-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 5.77 -37.92 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.94 4.56 -4.98 1 4 0 37 269.414 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-tetrahydropyran-4-yl-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) 2.45 6.2 -35.98 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 2.45 4.95 -4.85 1 4 0 37 283.441 5 ↓

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-tetrahydropyran-4-yl-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) 2.39 6.69 -40.2 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 2.39 5.46 -4.83 1 4 0 37 283.441 6 ↓

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-tetrahydropyran-4-yl-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) 1.25 4.38 -39.98 2 5 1 51 286.421 7 ↓
Mid Mid (pH 6-8) 1.25 2.95 -6.93 1 5 0 47 285.413 7 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 4.93 -39.17 2 4 1 42 256.395 4 ↓
Hi High (pH 8-9.5) 1.82 3.65 -4.64 1 4 0 37 255.387 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 4.94 -39.18 2 4 1 42 256.395 4 ↓
Hi High (pH 8-9.5) 1.82 3.66 -5.45 1 4 0 37 255.387 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-tetrahydropyran-4-yl-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) 2.20 5.76 -37.78 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 2.20 4.6 -5.19 1 4 0 37 269.414 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-tetrahydropyran-4-yl-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) 2.20 5.76 -37.73 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 2.20 4.56 -4.49 1 4 0 37 269.414 5 ↓

Analogs

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

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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 6.52 -38.44 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 2.70 5.35 -5.07 1 4 0 37 283.441 6 ↓

Analogs

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

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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 6.53 -38.38 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 2.70 5.32 -4.32 1 4 0 37 283.441 6 ↓

Analogs

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Popular Name: 2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carboxylic 2-[methyl(tetrahydropyran-4-yl)a…

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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) 1.28 5.07 -50.19 0 5 -1 65 241.292 3 ↓
Lo Low (pH 4.5-6) 1.28 5.46 -40.36 1 5 0 67 242.3 3 ↓

Analogs

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

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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 3.05 -6.49 1 4 0 46 256.371 3 ↓
Lo Low (pH 4.5-6) 1.49 3.4 -25.55 2 4 1 47 257.379 3 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-[methyl(tetra…

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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 3.07 -6.55 1 4 0 46 256.371 3 ↓
Lo Low (pH 4.5-6) 1.49 3.41 -25.52 2 4 1 47 257.379 3 ↓

Analogs

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Popular Name: [2-[methyl(tetrahydropyran-4-yl)amino]thiazol-5-yl]methanol [2-[methyl(tetrahydropyran-4-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) 1.04 1.77 -7.81 1 4 0 46 228.317 3 ↓
Lo Low (pH 4.5-6) 1.04 2.15 -27.57 2 4 1 47 229.325 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[methyl(tetrahydropyran-4-yl)amino]thiazol-5-yl]ethanol (1S)-1-[2-[methyl(tetrahydropyra…

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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) 1.27 2.56 -7.51 1 4 0 46 242.344 3 ↓
Lo Low (pH 4.5-6) 1.27 2.97 -28.19 2 4 1 47 243.352 3 ↓

Analogs

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

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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) 1.27 2.55 -7.5 1 4 0 46 242.344 3 ↓
Lo Low (pH 4.5-6) 1.27 2.96 -28.22 2 4 1 47 243.352 3 ↓

Analogs

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Popular Name: 4-methyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl(tetrahydropyr…

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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) 1.72 4.69 -9.57 0 4 0 42 240.328 3 ↓

Analogs

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Popular Name: 4-ethyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl(tetrahydropyra…

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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 5.41 -9.02 0 4 0 42 254.355 4 ↓

Analogs

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Popular Name: 2-[methyl(tetrahydropyran-4-yl)amino]-4-propyl-thiazole-5-carbaldehyde 2-[methyl(tetrahydropyran-4-yl)a…

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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) 2.79 6.19 -8.7 0 4 0 42 268.382 5 ↓

Analogs

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Popular Name: 4-tert-butyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carbaldehyde 4-tert-butyl-2-[methyl(tetrahydr…

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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) 3.44 6.47 -8.3 0 4 0 42 282.409 4 ↓

Analogs

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Popular Name: 4-methyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carboxylic 4-methyl-2-[methyl(tetrahydropyr…

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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) 1.50 5.5 -50.08 0 5 -1 65 255.319 3 ↓
Mid Mid (pH 6-8) 1.50 5.91 -39.1 1 5 0 67 256.327 3 ↓

Analogs

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Popular Name: 4-tert-butyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carboxylic 4-tert-butyl-2-[methyl(tetrahydr…

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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 7.26 -48.29 0 5 -1 65 297.4 4 ↓
Mid Mid (pH 6-8) 3.23 7.59 -35.79 1 5 0 67 298.408 4 ↓

Analogs

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Popular Name: 4-ethyl-2-[methyl(tetrahydropyran-4-yl)amino]thiazole-5-carboxylic 4-ethyl-2-[methyl(tetrahydropyra…

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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) 2.07 6.22 -50.44 0 5 -1 65 269.346 4 ↓
Mid Mid (pH 6-8) 2.07 6.59 -38.95 1 5 0 67 270.354 4 ↓

Analogs

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Popular Name: 2-[methyl(tetrahydropyran-4-yl)amino]-4-propyl-thiazole-5-carboxylic 2-[methyl(tetrahydropyran-4-yl)a…

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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) 2.58 7 -50.94 0 5 -1 65 283.373 5 ↓
Mid Mid (pH 6-8) 2.58 7.36 -39.12 1 5 0 67 284.381 5 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-4-propyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-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) 2.94 7.31 -40.01 2 4 1 42 298.476 7 ↓
Hi High (pH 8-9.5) 2.94 5.87 -5.13 1 4 0 37 297.468 7 ↓

Analogs

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Popular Name: N-methyl-4-propyl-5-(propylaminomethyl)-N-tetrahydropyran-4-yl-thiazol-2-amine N-methyl-4-propyl-5-(propylamino…

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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) 3.44 8.07 -40.68 2 4 1 42 312.503 8 ↓
Hi High (pH 8-9.5) 3.44 6.63 -5.03 1 4 0 37 311.495 8 ↓

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-4-propyl-N-tetrahydropyran-4-yl-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) 3.24 7.82 -38.12 2 4 1 42 312.503 7 ↓
Hi High (pH 8-9.5) 3.24 6.56 -5.03 1 4 0 37 311.495 7 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N,4-dimethyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(aminomethyl)-N,4-dimethyl-N-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) 1.11 3.01 -46.39 3 4 1 53 242.368 3 ↓
Mid Mid (pH 6-8) 1.11 2.61 -6.12 2 4 0 51 241.36 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-4-tert-butyl-N-methyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(aminomethyl)-4-tert-butyl-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) 2.84 4.82 -47.15 3 4 1 53 284.449 4 ↓
Mid Mid (pH 6-8) 2.84 4.51 -5.68 2 4 0 51 283.441 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-4-ethyl-N-methyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(aminomethyl)-4-ethyl-N-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) 1.69 3.79 -46.47 3 4 1 53 256.395 4 ↓
Mid Mid (pH 6-8) 1.69 3.27 -5.83 2 4 0 51 255.387 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-4-propyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(aminomethyl)-N-methyl-4-propy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 4.5 -47.62 3 4 1 53 270.422 5 ↓
Mid Mid (pH 6-8) 2.19 4.05 -5.71 2 4 0 51 269.414 5 ↓

Analogs

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Popular Name: N,4-dimethyl-5-(methylaminomethyl)-N-tetrahydropyran-4-yl-thiazol-2-amine N,4-dimethyl-5-(methylaminomethy…

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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 4.88 -40.75 2 4 1 42 256.395 4 ↓
Hi High (pH 8-9.5) 1.49 3.43 -5.62 1 4 0 37 255.387 4 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N,4-dimethyl-N-tetrahydropyran-4-yl-thiazol-2-amine 5-(ethylaminomethyl)-N,4-dimethy…

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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) 1.86 5.76 -39.94 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.86 4.39 -5.29 1 4 0 37 269.414 5 ↓

Parameters Provided:

ring.id = 157570
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 = 157570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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