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

C34H35F3N4O2S — CID 121439609

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

1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (PubChem CID 121439609) has the molecular formula C34H35F3N4O2S and a molecular weight of 620.74 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-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-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• PubChem CID: 121439609
• Molecular Formula: C34H35F3N4O2S
• Molecular Weight: 620.74 g/mol
• Exact Mass: 620.24
• IUPAC Name: 1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
• SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O
• InChI: InChI=1S/C34H35F3N4O2S/c1-5-22-8-7-9-23(6-2)30(22)41-29(18-21(3)4)26(32(42)40-16-14-38-15-17-40)19-27(33(41)43)31-39-28(20-44-31)24-10-12-25(13-11-24)34(35,36)37/h7-13,18-20,38H,5-6,14-17H2,1-4H3
• InChIKey: CTTFKYNTEXGSOY-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.74
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-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-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one (CID 121439609) is 1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-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-methylprop-1-enyl)-5-(piperazine-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-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1=O.

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

The InChIKey is CTTFKYNTEXGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N4O2S/c1-5-22-8-7-9-23(6-2)30(22)41-29(18-21(3)4)26(32(42)40-16-14-38-15-17-40)19-27(33(41)43)31-39-28(20-44-31)24-10-12-25(13-11-24)34(35,36)37/h7-13,18-20,38H,5-6,14-17H2,1-4H3.

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

1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one has a molecular weight of 620.74 g/mol, XLogP of 7.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 121439609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).