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

C34H36ClN3O3S — CID 159418096

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

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 159418096) has the molecular formula C34H36ClN3O3S and a molecular weight of 602.20 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• PubChem CID: 159418096
• Molecular Formula: C34H36ClN3O3S
• Molecular Weight: 602.20 g/mol
• Exact Mass: 601.22
• IUPAC Name: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• SMILES: CC(C)=Cc1c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n1-c1cc(C)ccc1OC(C)C
• InChI: InChI=1S/C34H36ClN3O3S/c1-21(2)17-29-26(33(39)37-15-7-6-8-16-37)19-27(32-36-28(20-42-32)24-10-12-25(35)13-11-24)34(40)38(29)30-18-23(5)9-14-31(30)41-22(3)4/h9-14,17-20,22H,6-8,15-16H2,1-5H3
• InChIKey: LPKNQIXXEJFEJS-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.20
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (CID 159418096) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

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

The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is CC(C)=Cc1c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n1-c1cc(C)ccc1OC(C)C.

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

The InChIKey is LPKNQIXXEJFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClN3O3S/c1-21(2)17-29-26(33(39)37-15-7-6-8-16-37)19-27(32-36-28(20-42-32)24-10-12-25(35)13-11-24)34(40)38(29)30-18-23(5)9-14-31(30)41-22(3)4/h9-14,17-20,22H,6-8,15-16H2,1-5H3.

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

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 602.20 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(5-methyl-2-propan-2-yloxyphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 159418096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).