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

C24H23F3N4O3S — CID 41160062

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

4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41160062) has the molecular formula C24H23F3N4O3S and a molecular weight of 504.53 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 41160062
• Molecular Formula: C24H23F3N4O3S
• Molecular Weight: 504.53 g/mol
• Exact Mass: 504.14
• IUPAC Name: 4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1
• InChI: InChI=1S/C24H23F3N4O3S/c1-34-20-7-5-16(6-8-20)22(33)29-23-28-18(15-35-23)14-21(32)31-11-9-30(10-12-31)19-4-2-3-17(13-19)24(25,26)27/h2-8,13,15H,9-12,14H2,1H3,(H,28,29,33)
• InChIKey: AWURWMPGFDAFKN-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide (CID 41160062) is 4-methoxy-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-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1.

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

The InChIKey is AWURWMPGFDAFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3S/c1-34-20-7-5-16(6-8-20)22(33)29-23-28-18(15-35-23)14-21(32)31-11-9-30(10-12-31)19-4-2-3-17(13-19)24(25,26)27/h2-8,13,15H,9-12,14H2,1H3,(H,28,29,33).

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

4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 504.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41160062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).