(2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide

C24H23N3O2S — CID 8653067

About (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide

(2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide (PubChem CID 8653067) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
• PubChem CID: 8653067
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
• SMILES: Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC(C)C)n(-c3ccccc3)c2=O)c(C)c1
• InChI: InChI=1S/C24H23N3O2S/c1-15(2)26-22(28)20(14-25)24-27(19-8-6-5-7-9-19)23(29)21(30-24)13-18-11-10-16(3)12-17(18)4/h5-13,15H,1-4H3,(H,26,28)/b21-13-,24-20-
• InChIKey: UQDGTGPCBGABEF-GSZSMBBOSA-N
• XLogP: 2.54
• TPSA: 74.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide (CID 8653067) is (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide.

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

The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide is Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC(C)C)n(-c3ccccc3)c2=O)c(C)c1.

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

The InChIKey is UQDGTGPCBGABEF-GSZSMBBOSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15(2)26-22(28)20(14-25)24-27(19-8-6-5-7-9-19)23(29)21(30-24)13-18-11-10-16(3)12-17(18)4/h5-13,15H,1-4H3,(H,26,28)/b21-13-,24-20-.

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

(2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide has a molecular weight of 417.53 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide is sourced from PubChem (CID 8653067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).