1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H23ClN4O2S — CID 122653897

About 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122653897) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
• PubChem CID: 122653897
• Molecular Formula: C24H23ClN4O2S
• Molecular Weight: 466.99 g/mol
• Exact Mass: 466.12
• IUPAC Name: 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
• SMILES: O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4ccccc4Cl)c3)C2)CC1
• InChI: InChI=1S/C24H23ClN4O2S/c25-21-7-2-1-6-20(21)17-4-3-5-18(14-17)29-16-19(15-22(29)30)27-9-11-28(12-10-27)24(31)23-26-8-13-32-23/h1-8,13-14,19H,9-12,15-16H2
• InChIKey: OFKDHTKARMXLGB-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 56.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.99
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

The IUPAC name of 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122653897) is 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4ccccc4Cl)c3)C2)CC1.

What is the InChIKey of 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

The InChIKey is OFKDHTKARMXLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c25-21-7-2-1-6-20(21)17-4-3-5-18(14-17)29-16-19(15-22(29)30)27-9-11-28(12-10-27)24(31)23-26-8-13-32-23/h1-8,13-14,19H,9-12,15-16H2.

What are the key properties of 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?

1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 466.99 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122653897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).