2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C24H19F3N4O2S — CID 42993753

About 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 42993753) has the molecular formula C24H19F3N4O2S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 42993753
• Molecular Formula: C24H19F3N4O2S
• Molecular Weight: 484.50 g/mol
• Exact Mass: 484.12
• IUPAC Name: 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccccc1C(F)(F)F
• InChI: InChI=1S/C24H19F3N4O2S/c25-24(26,27)18-11-4-5-12-19(18)30-21(32)14-20-22(33)31(15-17-10-6-7-13-28-17)23(34-20)29-16-8-2-1-3-9-16/h1-13,20H,14-15H2,(H,30,32)/b29-23-
• InChIKey: CGVJBFUJHOEKPM-FAJYDZGRSA-N
• XLogP: 5.26
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.50
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 42993753) is 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccccc1C(F)(F)F.

What is the InChIKey of 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The InChIKey is CGVJBFUJHOEKPM-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H19F3N4O2S/c25-24(26,27)18-11-4-5-12-19(18)30-21(32)14-20-22(33)31(15-17-10-6-7-13-28-17)23(34-20)29-16-8-2-1-3-9-16/h1-13,20H,14-15H2,(H,30,32)/b29-23-.

What are the key properties of 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 484.50 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42993753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).