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

C35H38F3N3O2S — CID 162155681

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

1-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (PubChem CID 162155681) has the molecular formula C35H38F3N3O2S and a molecular weight of 621.77 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-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-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• PubChem CID: 162155681
• Molecular Formula: C35H38F3N3O2S
• Molecular Weight: 621.77 g/mol
• Exact Mass: 621.26
• IUPAC Name: 1-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• SMILES: CCc1cccc(CC)c1-n1c(CC(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O
• InChI: InChI=1S/C35H38F3N3O2S/c1-5-23-11-10-12-24(6-2)31(23)41-30(19-22(3)4)27(33(42)40-17-8-7-9-18-40)20-28(34(41)43)32-39-29(21-44-32)25-13-15-26(16-14-25)35(36,37)38/h10-16,20-22H,5-9,17-19H2,1-4H3
• InChIKey: ZLUGRKYBLHUDMR-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.77
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-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-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (CID 162155681) is 1-(2,6-diethylphenyl)-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-(2,6-diethylphenyl)-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-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is CCc1cccc(CC)c1-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-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one?

The InChIKey is ZLUGRKYBLHUDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F3N3O2S/c1-5-23-11-10-12-24(6-2)31(23)41-30(19-22(3)4)27(33(42)40-17-8-7-9-18-40)20-28(34(41)43)32-39-29(21-44-32)25-13-15-26(16-14-25)35(36,37)38/h10-16,20-22H,5-9,17-19H2,1-4H3.

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

1-(2,6-diethylphenyl)-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 621.77 g/mol, XLogP of 8.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diethylphenyl)-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 162155681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).