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

C30H25N3O6S — CID 16628016

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 16628016) has the molecular formula C30H25N3O6S and a molecular weight of 555.61 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628016
• Molecular Formula: C30H25N3O6S
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.15
• IUPAC Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: COc1cc(/C=C2\S/C(=N\N=C\c3cccc(Oc4ccccc4)c3)N(Cc3ccco3)C2=O)cc(OC)c1O
• InChI: InChI=1S/C30H25N3O6S/c1-36-25-15-21(16-26(37-2)28(25)34)17-27-29(35)33(19-24-12-7-13-38-24)30(40-27)32-31-18-20-8-6-11-23(14-20)39-22-9-4-3-5-10-22/h3-18,34H,19H2,1-2H3/b27-17-,31-18+,32-30-
• InChIKey: PIHSPKHRNYRJTG-LOMIDIPPSA-N
• XLogP: 6.30
• TPSA: 106.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 16628016) is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N\N=C\c3cccc(Oc4ccccc4)c3)N(Cc3ccco3)C2=O)cc(OC)c1O.

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

The InChIKey is PIHSPKHRNYRJTG-LOMIDIPPSA-N. The full InChI is InChI=1S/C30H25N3O6S/c1-36-25-15-21(16-26(37-2)28(25)34)17-27-29(35)33(19-24-12-7-13-38-24)30(40-27)32-31-18-20-8-6-11-23(14-20)39-22-9-4-3-5-10-22/h3-18,34H,19H2,1-2H3/b27-17-,31-18+,32-30-.

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 555.61 g/mol, XLogP of 6.30, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).