3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

C24H17Cl2FN2OS — CID 3611924

About 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 3611924) has the molecular formula C24H17Cl2FN2OS and a molecular weight of 471.38 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 3611924
• Molecular Formula: C24H17Cl2FN2OS
• Molecular Weight: 471.38 g/mol
• Exact Mass: 470.04
• IUPAC Name: 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1ccc(/N=C2\SC(=Cc3cccc(F)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl
• InChI: InChI=1S/C24H17Cl2FN2OS/c1-14-6-8-18(12-20(14)25)28-24-29(19-9-7-15(2)21(26)13-19)23(30)22(31-24)11-16-4-3-5-17(27)10-16/h3-13H,1-2H3/b22-11?,28-24-
• InChIKey: UEZQPYYTQLAVNE-AAXGQYHWSA-N
• XLogP: 7.56
• TPSA: 32.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.38
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 3611924) is 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\SC(=Cc3cccc(F)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl.

What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is UEZQPYYTQLAVNE-AAXGQYHWSA-N. The full InChI is InChI=1S/C24H17Cl2FN2OS/c1-14-6-8-18(12-20(14)25)28-24-29(19-9-7-15(2)21(26)13-19)23(30)22(31-24)11-16-4-3-5-17(27)10-16/h3-13H,1-2H3/b22-11?,28-24-.

What are the key properties of 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 471.38 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3611924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).