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

C32H31Cl2N3O3S — CID 159641708

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

1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 159641708) has the molecular formula C32H31Cl2N3O3S and a molecular weight of 608.59 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• PubChem CID: 159641708
• Molecular Formula: C32H31Cl2N3O3S
• Molecular Weight: 608.59 g/mol
• Exact Mass: 607.15
• IUPAC Name: 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• SMILES: CCOc1ccc(Cl)cc1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O
• InChI: InChI=1S/C32H31Cl2N3O3S/c1-4-40-29-13-12-23(34)17-28(29)37-27(16-20(2)3)24(31(38)36-14-6-5-7-15-36)18-25(32(37)39)30-35-26(19-41-30)21-8-10-22(33)11-9-21/h8-13,16-19H,4-7,14-15H2,1-3H3
• InChIKey: MQKZIUYMWWXRRE-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.59
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (CID 159641708) is 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

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

The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is CCOc1ccc(Cl)cc1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O.

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

The InChIKey is MQKZIUYMWWXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Cl2N3O3S/c1-4-40-29-13-12-23(34)17-28(29)37-27(16-20(2)3)24(31(38)36-14-6-5-7-15-36)18-25(32(37)39)30-35-26(19-41-30)21-8-10-22(33)11-9-21/h8-13,16-19H,4-7,14-15H2,1-3H3.

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

1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 608.59 g/mol, XLogP of 8.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-ethoxyphenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 159641708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).