(2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide

C22H19N3O3S — CID 2009080

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

(2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide (PubChem CID 2009080) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
• PubChem CID: 2009080
• Molecular Formula: C22H19N3O3S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.11
• IUPAC Name: (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
• SMILES: CCOc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C22H19N3O3S/c1-3-28-18-12-8-7-9-15(18)13-19-21(27)25(16-10-5-4-6-11-16)22(29-19)17(14-23)20(26)24-2/h4-13H,3H2,1-2H3,(H,24,26)/b19-13-,22-17-
• InChIKey: FEXUGZYNRXPNLR-YDHWRROCSA-N
• XLogP: 1.55
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide (CID 2009080) is (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide.

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

The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide is CCOc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O.

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

The InChIKey is FEXUGZYNRXPNLR-YDHWRROCSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-3-28-18-12-8-7-9-15(18)13-19-21(27)25(16-10-5-4-6-11-16)22(29-19)17(14-23)20(26)24-2/h4-13H,3H2,1-2H3,(H,24,26)/b19-13-,22-17-.

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

(2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide has a molecular weight of 405.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide is sourced from PubChem (CID 2009080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).