(E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide

C25H21FN2O2S — CID 42806219

About (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide (PubChem CID 42806219) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide
• PubChem CID: 42806219
• Molecular Formula: C25H21FN2O2S
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.13
• IUPAC Name: (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide
• SMILES: Cc1c(F)cccc1N1C(=O)CSC1c1ccc(NC(=O)/C=C/c2ccccc2)cc1
• InChI: InChI=1S/C25H21FN2O2S/c1-17-21(26)8-5-9-22(17)28-24(30)16-31-25(28)19-11-13-20(14-12-19)27-23(29)15-10-18-6-3-2-4-7-18/h2-15,25H,16H2,1H3,(H,27,29)/b15-10+
• InChIKey: STDGPHFUQHCSPU-XNTDXEJSSA-N
• XLogP: 5.56
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide?

The IUPAC name of (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide (CID 42806219) is (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide.

What is the SMILES notation for (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide?

The canonical SMILES for (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide is Cc1c(F)cccc1N1C(=O)CSC1c1ccc(NC(=O)/C=C/c2ccccc2)cc1.

What is the InChIKey of (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide?

The InChIKey is STDGPHFUQHCSPU-XNTDXEJSSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-17-21(26)8-5-9-22(17)28-24(30)16-31-25(28)19-11-13-20(14-12-19)27-23(29)15-10-18-6-3-2-4-7-18/h2-15,25H,16H2,1H3,(H,27,29)/b15-10+.

What are the key properties of (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide?

(E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 432.52 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42806219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).