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

C29H23N3O3S — CID 19246684

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

(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246684) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 19246684
• Molecular Formula: C29H23N3O3S
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.15
• IUPAC Name: (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/C=C2\S/C(=N/N=C\c3ccc(-c4ccccc4)cc3)N(Cc3ccco3)C2=O)cc1
• InChI: InChI=1S/C29H23N3O3S/c1-34-25-15-11-21(12-16-25)18-27-28(33)32(20-26-8-5-17-35-26)29(36-27)31-30-19-22-9-13-24(14-10-22)23-6-3-2-4-7-23/h2-19H,20H2,1H3/b27-18-,30-19-,31-29+
• InChIKey: VYPHCIVJJRGOPC-RMKJGKFTSA-N
• XLogP: 6.46
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 19246684) is (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/N=C\c3ccc(-c4ccccc4)cc3)N(Cc3ccco3)C2=O)cc1.

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

The InChIKey is VYPHCIVJJRGOPC-RMKJGKFTSA-N. The full InChI is InChI=1S/C29H23N3O3S/c1-34-25-15-11-21(12-16-25)18-27-28(33)32(20-26-8-5-17-35-26)29(36-27)31-30-19-22-9-13-24(14-10-22)23-6-3-2-4-7-23/h2-19H,20H2,1H3/b27-18-,30-19-,31-29+.

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

(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 493.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).