2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

C30H25FN4O3S — CID 18836428

About 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 18836428) has the molecular formula C30H25FN4O3S and a molecular weight of 540.62 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
• PubChem CID: 18836428
• Molecular Formula: C30H25FN4O3S
• Molecular Weight: 540.62 g/mol
• Exact Mass: 540.16
• IUPAC Name: 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
• SMILES: O=C(CC1S/C(=N\N=C\c2ccc(-c3ccc(F)cc3)o2)N(CCc2ccccc2)C1=O)Nc1ccccc1
• InChI: InChI=1S/C30H25FN4O3S/c31-23-13-11-22(12-14-23)26-16-15-25(38-26)20-32-34-30-35(18-17-21-7-3-1-4-8-21)29(37)27(39-30)19-28(36)33-24-9-5-2-6-10-24/h1-16,20,27H,17-19H2,(H,33,36)/b32-20+,34-30-
• InChIKey: SESRDSFGRGWRQS-NVLFQBQZSA-N
• XLogP: 5.99
• TPSA: 87.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.62
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The IUPAC name of 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 18836428) is 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The canonical SMILES for 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N\N=C\c2ccc(-c3ccc(F)cc3)o2)N(CCc2ccccc2)C1=O)Nc1ccccc1.

What is the InChIKey of 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The InChIKey is SESRDSFGRGWRQS-NVLFQBQZSA-N. The full InChI is InChI=1S/C30H25FN4O3S/c31-23-13-11-22(12-14-23)26-16-15-25(38-26)20-32-34-30-35(18-17-21-7-3-1-4-8-21)29(37)27(39-30)19-28(36)33-24-9-5-2-6-10-24/h1-16,20,27H,17-19H2,(H,33,36)/b32-20+,34-30-.

What are the key properties of 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 540.62 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 18836428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).