(5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

C23H24N2O3S — CID 9484950

About (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 9484950) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
• PubChem CID: 9484950
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
• SMILES: C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)cc(OC)c1OCC
• InChI: InChI=1S/C23H24N2O3S/c1-5-10-17-13-16(14-19(27-4)21(17)28-6-2)15-20-22(26)25(3)23(29-20)24-18-11-8-7-9-12-18/h5,7-9,11-15H,1,6,10H2,2-4H3/b20-15+,24-23-
• InChIKey: CMAIZJLFLYKOPN-MIIQOVFOSA-N
• XLogP: 5.06
• TPSA: 51.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one (CID 9484950) is (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one is C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)cc(OC)c1OCC.

What is the InChIKey of (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

The InChIKey is CMAIZJLFLYKOPN-MIIQOVFOSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-5-10-17-13-16(14-19(27-4)21(17)28-6-2)15-20-22(26)25(3)23(29-20)24-18-11-8-7-9-12-18/h5,7-9,11-15H,1,6,10H2,2-4H3/b20-15+,24-23-.

What are the key properties of (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

(5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 408.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 9484950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).