4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide

C23H20ClF3N4O2S — CID 41160059

About 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41160059) has the molecular formula C23H20ClF3N4O2S and a molecular weight of 508.95 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 41160059
• Molecular Formula: C23H20ClF3N4O2S
• Molecular Weight: 508.95 g/mol
• Exact Mass: 508.09
• IUPAC Name: 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H20ClF3N4O2S/c24-17-6-4-15(5-7-17)21(33)29-22-28-18(14-34-22)13-20(32)31-10-8-30(9-11-31)19-3-1-2-16(12-19)23(25,26)27/h1-7,12,14H,8-11,13H2,(H,28,29,33)
• InChIKey: GGOZQOFDZJMRDP-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.95
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide (CID 41160059) is 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is GGOZQOFDZJMRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O2S/c24-17-6-4-15(5-7-17)21(33)29-22-28-18(14-34-22)13-20(32)31-10-8-30(9-11-31)19-3-1-2-16(12-19)23(25,26)27/h1-7,12,14H,8-11,13H2,(H,28,29,33).

What are the key properties of 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide?

4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 508.95 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41160059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).