2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide

C27H22N4O2S — CID 3636395

About 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide

2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 3636395) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 3636395
• Molecular Formula: C27H22N4O2S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.15
• IUPAC Name: 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)C(C#N)=c2sc(=Cc3cccnc3)c(=O)n2-c2ccccc2)cc1
• InChI: InChI=1S/C27H22N4O2S/c1-18(2)20-10-12-21(13-11-20)30-25(32)23(16-28)27-31(22-8-4-3-5-9-22)26(33)24(34-27)15-19-7-6-14-29-17-19/h3-15,17-18H,1-2H3,(H,30,32)
• InChIKey: UZOBWTOMXFSVQL-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide (CID 3636395) is 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(C#N)=c2sc(=Cc3cccnc3)c(=O)n2-c2ccccc2)cc1.

What is the InChIKey of 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is UZOBWTOMXFSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c1-18(2)20-10-12-21(13-11-20)30-25(32)23(16-28)27-31(22-8-4-3-5-9-22)26(33)24(34-27)15-19-7-6-14-29-17-19/h3-15,17-18H,1-2H3,(H,30,32).

What are the key properties of 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide?

2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 466.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-2-[4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3636395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).