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

C28H20FN3O2S — CID 16627852

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

(2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16627852) has the molecular formula C28H20FN3O2S and a molecular weight of 481.55 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16627852
• Molecular Formula: C28H20FN3O2S
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.13
• IUPAC Name: (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(-c3ccccc3)cc2)S/C(=N\N=C\c2ccc(F)cc2)N1Cc1ccco1
• InChI: InChI=1S/C28H20FN3O2S/c29-24-14-10-21(11-15-24)18-30-31-28-32(19-25-7-4-16-34-25)27(33)26(35-28)17-20-8-12-23(13-9-20)22-5-2-1-3-6-22/h1-18H,19H2/b26-17-,30-18+,31-28-
• InChIKey: QICGEGIYPBMJNA-RCZXBRRHSA-N
• XLogP: 6.59
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16627852) is (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccccc3)cc2)S/C(=N\N=C\c2ccc(F)cc2)N1Cc1ccco1.

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

The InChIKey is QICGEGIYPBMJNA-RCZXBRRHSA-N. The full InChI is InChI=1S/C28H20FN3O2S/c29-24-14-10-21(11-15-24)18-30-31-28-32(19-25-7-4-16-34-25)27(33)26(35-28)17-20-8-12-23(13-9-20)22-5-2-1-3-6-22/h1-18H,19H2/b26-17-,30-18+,31-28-.

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

(2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 481.55 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).