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Popular Name: N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine N-[(1R)-1-(2,4-dimethylthiazol-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) 3.42 7.33 -8.15 1 3 0 38 289.429 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine N-[(1S)-1-(2,4-dimethylthiazol-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) 3.42 7.34 -8.21 1 3 0 38 289.429 3 ↓

Analogs

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Popular Name: 5-chloro-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R)-1-(2,4-dimethyl…

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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) 4.07 7.83 -7.09 1 3 0 38 323.874 3 ↓

Analogs

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Popular Name: 5-chloro-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S)-1-(2,4-dimethyl…

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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) 4.07 7.84 -7.11 1 3 0 38 323.874 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1S)-1-(2,4-dimethylthiazol-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) 3.84 7.88 -9.09 1 3 0 38 303.456 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1R)-1-(2,4-dimethylthiazol-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) 3.84 7.89 -9.11 1 3 0 38 303.456 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1R)-1-(2,4-dimethylthiazol-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) 3.56 7.39 -7.55 1 3 0 38 307.419 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1S)-1-(2,4-dimethylthiazol-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) 3.56 7.4 -7.6 1 3 0 38 307.419 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R)-1-(2,4-dimethylt…

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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) 4.20 7.93 -6.98 1 3 0 38 368.325 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S)-1-(2,4-dimethylt…

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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) 4.20 7.94 -7 1 3 0 38 368.325 3 ↓

Analogs

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Popular Name: 7-chloro-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R)-1-(2,4-dimethyl…

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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) 4.05 7.83 -7.9 1 3 0 38 323.874 3 ↓

Analogs

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Popular Name: 7-chloro-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S)-1-(2,4-dimethyl…

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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) 4.05 7.84 -7.96 1 3 0 38 323.874 3 ↓

Analogs

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Popular Name: N-[(2-methylthiazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine N-[(2-methylthiazol-5-yl)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) 3.51 6.98 -8.6 1 3 0 38 329.372 4 ↓

Analogs

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Popular Name: 5-chloro-N-[(2-methylthiazol-5-yl)methyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(2-methylthiazol-5-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) 3.29 6.57 -7.13 1 3 0 38 295.82 3 ↓

Analogs

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Popular Name: 5-methyl-N-[(2-methylthiazol-5-yl)methyl]-1,3-benzothiazol-2-amine 5-methyl-N-[(2-methylthiazol-5-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) 3.06 6.65 -9.06 1 3 0 38 275.402 3 ↓

Analogs

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Popular Name: 5-fluoro-N-[(2-methylthiazol-5-yl)methyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[(2-methylthiazol-5-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) 2.78 6.13 -7.53 1 3 0 38 279.365 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(2-methylthiazol-5-yl)methyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(2-methylthiazol-5-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) 3.42 6.67 -7.03 1 3 0 38 340.271 3 ↓

Analogs

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Popular Name: 7-chloro-N-[(2-methylthiazol-5-yl)methyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(2-methylthiazol-5-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) 3.27 6.57 -7.97 1 3 0 38 295.82 3 ↓

Parameters Provided:

ring.id = 301306
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 = 301306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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