(5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C23H25ClN2O2S — CID 126097525

About (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 126097525) has the molecular formula C23H25ClN2O2S and a molecular weight of 428.99 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
• PubChem CID: 126097525
• Molecular Formula: C23H25ClN2O2S
• Molecular Weight: 428.99 g/mol
• Exact Mass: 428.13
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
• SMILES: COc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C
• InChI: InChI=1S/C23H25ClN2O2S/c1-14(2)13-26-22(27)21(12-17-10-16(4)20(28-5)11-15(17)3)29-23(26)25-19-8-6-18(24)7-9-19/h6-12,14H,13H2,1-5H3/b21-12-,25-23+
• InChIKey: PXOWBBJAEUPXLJ-IKQKJRAVSA-N
• XLogP: 6.23
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.99
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 126097525) is (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is COc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C.

What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The InChIKey is PXOWBBJAEUPXLJ-IKQKJRAVSA-N. The full InChI is InChI=1S/C23H25ClN2O2S/c1-14(2)13-26-22(27)21(12-17-10-16(4)20(28-5)11-15(17)3)29-23(26)25-19-8-6-18(24)7-9-19/h6-12,14H,13H2,1-5H3/b21-12-,25-23+.

What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

(5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 428.99 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 126097525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).