2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C25H19F4N3O2S — CID 2373063

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

2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2373063) has the molecular formula C25H19F4N3O2S and a molecular weight of 501.51 g/mol. Its IUPAC name is 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 2373063
• Molecular Formula: C25H19F4N3O2S
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.11
• IUPAC Name: 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H19F4N3O2S/c26-18-11-9-16(10-12-18)15-32-23(34)21(35-24(32)31-19-6-2-1-3-7-19)14-22(33)30-20-8-4-5-17(13-20)25(27,28)29/h1-13,21H,14-15H2,(H,30,33)/b31-24-/t21-/m0/s1
• InChIKey: XWZIGRYODSCYTK-KUEVPICXSA-N
• XLogP: 6.01
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2373063) is 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1.

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

The InChIKey is XWZIGRYODSCYTK-KUEVPICXSA-N. The full InChI is InChI=1S/C25H19F4N3O2S/c26-18-11-9-16(10-12-18)15-32-23(34)21(35-24(32)31-19-6-2-1-3-7-19)14-22(33)30-20-8-4-5-17(13-20)25(27,28)29/h1-13,21H,14-15H2,(H,30,33)/b31-24-/t21-/m0/s1.

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

2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 501.51 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2373063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).