2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide

C25H19N3O2S2 — CID 3968899

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

2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide (PubChem CID 3968899) has the molecular formula C25H19N3O2S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
• PubChem CID: 3968899
• Molecular Formula: C25H19N3O2S2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.09
• IUPAC Name: 2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
• SMILES: N#CC(C(=O)NCCc1ccccc1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C25H19N3O2S2/c26-17-21(23(29)27-14-13-18-8-3-1-4-9-18)25-28(19-10-5-2-6-11-19)24(30)22(32-25)16-20-12-7-15-31-20/h1-12,15-16H,13-14H2,(H,27,29)
• InChIKey: HBWZGXKRUQVUDT-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 74.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	2.82
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-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide (CID 3968899) is 2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.

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

The canonical SMILES for 2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is N#CC(C(=O)NCCc1ccccc1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1.

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

The InChIKey is HBWZGXKRUQVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S2/c26-17-21(23(29)27-14-13-18-8-3-1-4-9-18)25-28(19-10-5-2-6-11-19)24(30)22(32-25)16-20-12-7-15-31-20/h1-12,15-16H,13-14H2,(H,27,29).

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

2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide has a molecular weight of 457.58 g/mol, XLogP of 2.82, 6 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-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3968899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).