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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (E)-3-[5-[methyl-[(2-methylthiazol-4-yl)methyl]carbamoyl]-2-thienyl]prop-2-enoic (E)-3-[5-[methyl-[(2-methylthiaz…

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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) 1.59 7.22 -47.96 0 5 -1 73 321.403 5 ↓

Analogs

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Popular Name: 3-cyano-N-(thiazol-4-ylmethyl)thiophene-2-carboxamide 3-cyano-N-(thiazol-4-ylmethyl)th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.93 -15.96 1 4 0 66 249.32 3 ↓

Analogs

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Popular Name: 3-cyano-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 3-cyano-N-[(2-methylthiazol-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) 1.00 3.67 -15.86 1 4 0 66 263.347 3 ↓

Analogs

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Popular Name: 3-(difluoromethoxy)-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 3-(difluoromethoxy)-N-[(2-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) 1.86 3.63 -13.83 1 4 0 51 304.343 5 ↓

Analogs

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Popular Name: 3-bromo-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 3-bromo-N-[(2-methylthiazol-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) 2.05 3.96 -10.42 1 3 0 42 317.233 3 ↓

Analogs

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Popular Name: 3-(methanesulfonamido)-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 3-(methanesulfonamido)-N-[(2-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) 0.47 0.24 -15.39 2 6 0 88 331.444 5 ↓
Mid Mid (pH 6-8) 0.47 0.2 -50.59 1 6 -1 90 330.436 5 ↓

Analogs

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Popular Name: 3-ethyl-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 3-ethyl-N-[(2-methylthiazol-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) 2.15 4.77 -8.87 1 3 0 42 266.391 4 ↓

Analogs

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Popular Name: 3-isopropyl-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 3-isopropyl-N-[(2-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) 2.28 5.29 -9.07 1 3 0 42 280.418 4 ↓

Analogs

42829063
42829063

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Popular Name: N,5-dimethyl-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-thiophene-2-carboxamide N,5-dimethyl-N-[(2-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) 1.67 6.45 -22.1 0 6 0 79 311.388 4 ↓

Analogs

44611226
44611226

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Popular Name: 5-acetyl-N-methyl-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 5-acetyl-N-methyl-N-[(2-methylth…

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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) 1.70 5.73 -10.83 0 4 0 50 294.401 4 ↓

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 2.34 -12.15 2 4 0 62 292.385 3 ↓

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 3.11 -10.31 2 4 0 62 306.412 4 ↓

Analogs

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Popular Name: 5-ethyl-4-methyl-N-[(2-methylthiazol-4-yl)methyl]thiophene-2-carboxamide 5-ethyl-4-methyl-N-[(2-methylthi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 5.52 -9.32 1 3 0 42 280.418 4 ↓

Analogs

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Popular Name: 4-ethyl-N-[(2-methylthiazol-4-yl)methyl]-5-propyl-thiophene-2-carboxamide 4-ethyl-N-[(2-methylthiazol-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) 3.45 7.01 -9.08 1 3 0 42 308.472 6 ↓

Analogs

44609889
44609889

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-methyl-N-(thiazol-4-ylmethyl)thiophene-2-carboxamide 5-bromo-N-methyl-N-(thiazol-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) 2.78 5.06 -6.65 0 3 0 33 317.233 3 ↓

Analogs

42871267
42871267
44611182
44611182

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl(thiazol-4-ylmethyl)carbamoyl]thiophene-2-carboxylic 5-[methyl(thiazol-4-ylmethyl)car…

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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) 1.65 5.12 -45.9 0 5 -1 73 281.338 4 ↓

Parameters Provided:

ring.id = 8617
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 = 8617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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