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

C25H23F3N4O2S — CID 122653983

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

4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one (PubChem CID 122653983) has the molecular formula C25H23F3N4O2S and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
• PubChem CID: 122653983
• Molecular Formula: C25H23F3N4O2S
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.15
• IUPAC Name: 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
• SMILES: O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(C(F)(F)F)c4)c3)C2)CC1
• InChI: InChI=1S/C25H23F3N4O2S/c26-25(27,28)19-5-1-3-17(13-19)18-4-2-6-20(14-18)32-16-21(15-22(32)33)30-8-10-31(11-9-30)24(34)23-29-7-12-35-23/h1-7,12-14,21H,8-11,15-16H2
• InChIKey: STKNTWYCUIVTMA-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 56.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one (CID 122653983) is 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one.

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

The canonical SMILES for 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(C(F)(F)F)c4)c3)C2)CC1.

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

The InChIKey is STKNTWYCUIVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2S/c26-25(27,28)19-5-1-3-17(13-19)18-4-2-6-20(14-18)32-16-21(15-22(32)33)30-8-10-31(11-9-30)24(34)23-29-7-12-35-23/h1-7,12-14,21H,8-11,15-16H2.

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

4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 500.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 122653983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).