2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide

C25H16ClN3O2S — CID 3542035

About 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide

2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide (PubChem CID 3542035) has the molecular formula C25H16ClN3O2S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
• PubChem CID: 3542035
• Molecular Formula: C25H16ClN3O2S
• Molecular Weight: 457.94 g/mol
• Exact Mass: 457.07
• IUPAC Name: 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
• SMILES: N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C25H16ClN3O2S/c26-21-14-8-7-9-17(21)15-22-24(31)29(19-12-5-2-6-13-19)25(32-22)20(16-27)23(30)28-18-10-3-1-4-11-18/h1-15H,(H,28,30)
• InChIKey: NLVSUOUSXDOAFS-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 74.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.94
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide?

The IUPAC name of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide (CID 3542035) is 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide.

What is the SMILES notation for 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide?

The canonical SMILES for 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide is N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1.

What is the InChIKey of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide?

The InChIKey is NLVSUOUSXDOAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O2S/c26-21-14-8-7-9-17(21)15-22-24(31)29(19-12-5-2-6-13-19)25(32-22)20(16-27)23(30)28-18-10-3-1-4-11-18/h1-15H,(H,28,30).

What are the key properties of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide?

2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide has a molecular weight of 457.94 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide is sourced from PubChem (CID 3542035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).