N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide

C24H20FN3O2S — CID 18824511

About N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide

N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 18824511) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
• PubChem CID: 18824511
• Molecular Formula: C24H20FN3O2S
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
• SMILES: C=CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc2ccccc12
• InChI: InChI=1S/C24H20FN3O2S/c1-2-14-28-23(30)21(15-22(29)26-18-12-10-17(25)11-13-18)31-24(28)27-20-9-5-7-16-6-3-4-8-19(16)20/h2-13,21H,1,14-15H2,(H,26,29)/b27-24-
• InChIKey: DNQJLWYYAYBTHZ-PNHLSOANSA-N
• XLogP: 5.13
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide?

The IUPAC name of N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide (CID 18824511) is N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide is C=CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc2ccccc12.

What is the InChIKey of N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide?

The InChIKey is DNQJLWYYAYBTHZ-PNHLSOANSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-2-14-28-23(30)21(15-22(29)26-18-12-10-17(25)11-13-18)31-24(28)27-20-9-5-7-16-6-3-4-8-19(16)20/h2-13,21H,1,14-15H2,(H,26,29)/b27-24-.

What are the key properties of N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide?

N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 18824511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).