1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one

C34H36F3N3O3S — CID 158366855

About 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one

1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (PubChem CID 158366855) has the molecular formula C34H36F3N3O3S and a molecular weight of 623.74 g/mol. Its IUPAC name is 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• PubChem CID: 158366855
• Molecular Formula: C34H36F3N3O3S
• Molecular Weight: 623.74 g/mol
• Exact Mass: 623.24
• IUPAC Name: 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• SMILES: CCc1ccc(OC)cc1-n1c(CC(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O
• InChI: InChI=1S/C34H36F3N3O3S/c1-5-22-11-14-25(43-4)18-29(22)40-30(17-21(2)3)26(32(41)39-15-7-6-8-16-39)19-27(33(40)42)31-38-28(20-44-31)23-9-12-24(13-10-23)34(35,36)37/h9-14,18-21H,5-8,15-17H2,1-4H3
• InChIKey: GUDDZQGXDFMDIA-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.74
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The IUPAC name of 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (CID 158366855) is 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one.

What is the SMILES notation for 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The canonical SMILES for 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is CCc1ccc(OC)cc1-n1c(CC(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O.

What is the InChIKey of 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The InChIKey is GUDDZQGXDFMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N3O3S/c1-5-22-11-14-25(43-4)18-29(22)40-30(17-21(2)3)26(32(41)39-15-7-6-8-16-39)19-27(33(40)42)31-38-28(20-44-31)23-9-12-24(13-10-23)34(35,36)37/h9-14,18-21H,5-8,15-17H2,1-4H3.

What are the key properties of 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one has a molecular weight of 623.74 g/mol, XLogP of 8.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-5-methoxyphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 158366855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).