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

C25H25FN4O2S — CID 122653888

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

1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122653888) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
• PubChem CID: 122653888
• Molecular Formula: C25H25FN4O2S
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.17
• IUPAC Name: 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
• SMILES: Cc1cc(F)ccc1-c1cccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1
• InChI: InChI=1S/C25H25FN4O2S/c1-17-13-19(26)5-6-22(17)18-3-2-4-20(14-18)30-16-21(15-23(30)31)28-8-10-29(11-9-28)25(32)24-27-7-12-33-24/h2-7,12-14,21H,8-11,15-16H2,1H3
• InChIKey: INIXSYASTGUBCN-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 56.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122653888) is 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

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

The canonical SMILES for 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1cc(F)ccc1-c1cccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1.

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

The InChIKey is INIXSYASTGUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-17-13-19(26)5-6-22(17)18-3-2-4-20(14-18)30-16-21(15-23(30)31)28-8-10-29(11-9-28)25(32)24-27-7-12-33-24/h2-7,12-14,21H,8-11,15-16H2,1H3.

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

1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 464.57 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122653888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).