(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C24H20ClN3O4S — CID 19246155

About (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 19246155) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 19246155
• Molecular Formula: C24H20ClN3O4S
• Molecular Weight: 481.96 g/mol
• Exact Mass: 481.09
• IUPAC Name: (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/C=C2\S/C(=N/N=C\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1OC
• InChI: InChI=1S/C24H20ClN3O4S/c1-30-20-10-7-17(12-21(20)31-2)13-22-23(29)28(15-19-4-3-11-32-19)24(33-22)27-26-14-16-5-8-18(25)9-6-16/h3-14H,15H2,1-2H3/b22-13-,26-14-,27-24+
• InChIKey: PJVYRVXRDQYGFG-WXLMUWKQSA-N
• XLogP: 5.46
• TPSA: 76.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.96
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 19246155) is (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/N=C\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1OC.

What is the InChIKey of (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The InChIKey is PJVYRVXRDQYGFG-WXLMUWKQSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c1-30-20-10-7-17(12-21(20)31-2)13-22-23(29)28(15-19-4-3-11-32-19)24(33-22)27-26-14-16-5-8-18(25)9-6-16/h3-14H,15H2,1-2H3/b22-13-,26-14-,27-24+.

What are the key properties of (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 481.96 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).