1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one

C32H33Cl2N3O3S — CID 157145439

About 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one

1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 157145439) has the molecular formula C32H33Cl2N3O3S and a molecular weight of 610.61 g/mol. Its IUPAC name is 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• PubChem CID: 157145439
• Molecular Formula: C32H33Cl2N3O3S
• Molecular Weight: 610.61 g/mol
• Exact Mass: 609.16
• IUPAC Name: 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• SMILES: CCOc1ccc(Cl)c(-n2c(CC(C)C)c(C(=O)N3CCCCC3)cc(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)c1
• InChI: InChI=1S/C32H33Cl2N3O3S/c1-4-40-23-12-13-26(34)29(17-23)37-28(16-20(2)3)24(31(38)36-14-6-5-7-15-36)18-25(32(37)39)30-35-27(19-41-30)21-8-10-22(33)11-9-21/h8-13,17-20H,4-7,14-16H2,1-3H3
• InChIKey: AKQLNYXPQCADGH-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.61
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The IUPAC name of 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one (CID 157145439) is 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

What is the SMILES notation for 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The canonical SMILES for 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one is CCOc1ccc(Cl)c(-n2c(CC(C)C)c(C(=O)N3CCCCC3)cc(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)c1.

What is the InChIKey of 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The InChIKey is AKQLNYXPQCADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N3O3S/c1-4-40-23-12-13-26(34)29(17-23)37-28(16-20(2)3)24(31(38)36-14-6-5-7-15-36)18-25(32(37)39)30-35-27(19-41-30)21-8-10-22(33)11-9-21/h8-13,17-20H,4-7,14-16H2,1-3H3.

What are the key properties of 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 610.61 g/mol, XLogP of 8.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-5-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 157145439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).