3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one

C35H38ClN3O2S — CID 158708364

About 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one (PubChem CID 158708364) has the molecular formula C35H38ClN3O2S and a molecular weight of 600.23 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one
• PubChem CID: 158708364
• Molecular Formula: C35H38ClN3O2S
• Molecular Weight: 600.23 g/mol
• Exact Mass: 599.24
• IUPAC Name: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one
• SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCCC[C@H]2C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O
• InChI: InChI=1S/C35H38ClN3O2S/c1-6-24-12-10-13-25(7-2)32(24)39-31(19-22(3)4)28(34(40)38-18-9-8-11-23(38)5)20-29(35(39)41)33-37-30(21-42-33)26-14-16-27(36)17-15-26/h10,12-17,19-21,23H,6-9,11,18H2,1-5H3/t23-/m1/s1
• InChIKey: IIKGFCRPQKHWPB-HSZRJFAPSA-N
• XLogP: 8.84
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.23
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one (CID 158708364) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one.

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

The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one is CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCCC[C@H]2C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O.

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

The InChIKey is IIKGFCRPQKHWPB-HSZRJFAPSA-N. The full InChI is InChI=1S/C35H38ClN3O2S/c1-6-24-12-10-13-25(7-2)32(24)39-31(19-22(3)4)28(34(40)38-18-9-8-11-23(38)5)20-29(35(39)41)33-37-30(21-42-33)26-14-16-27(36)17-15-26/h10,12-17,19-21,23H,6-9,11,18H2,1-5H3/t23-/m1/s1.

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

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one has a molecular weight of 600.23 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-[(2R)-2-methylpiperidine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one is sourced from PubChem (CID 158708364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).