(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

C22H24N2O2S — CID 169132782

About (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one (PubChem CID 169132782) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
• PubChem CID: 169132782
• Molecular Formula: C22H24N2O2S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
• SMILES: CCC/N=C1\S/C(=C\c2ccc(OC)c(C)c2)C(=O)N1c1ccccc1C
• InChI: InChI=1S/C22H24N2O2S/c1-5-12-23-22-24(18-9-7-6-8-15(18)2)21(25)20(27-22)14-17-10-11-19(26-4)16(3)13-17/h6-11,13-14H,5,12H2,1-4H3/b20-14-,23-22-
• InChIKey: HLAUVSYFPUBFBZ-DJOYVXLESA-N
• XLogP: 5.20
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	5.20
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)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one (CID 169132782) is (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one is CCC/N=C1\S/C(=C\c2ccc(OC)c(C)c2)C(=O)N1c1ccccc1C.

What is the InChIKey of (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

The InChIKey is HLAUVSYFPUBFBZ-DJOYVXLESA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-12-23-22-24(18-9-7-6-8-15(18)2)21(25)20(27-22)14-17-10-11-19(26-4)16(3)13-17/h6-11,13-14H,5,12H2,1-4H3/b20-14-,23-22-.

What are the key properties of (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one has a molecular weight of 380.51 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 169132782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).