2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C23H19N3OS — CID 8653517

About 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8653517) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 8653517
• Molecular Formula: C23H19N3OS
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.12
• IUPAC Name: 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(C)c(C)c3)c2=O)cc1
• InChI: InChI=1S/C23H19N3OS/c1-4-17-6-8-18(9-7-17)12-21-22(27)26(23(28-21)19(13-24)14-25)20-10-5-15(2)16(3)11-20/h5-12H,4H2,1-3H3/b21-12-
• InChIKey: XZAIEXNPNSNHMT-MTJSOVHGSA-N
• XLogP: 3.10
• TPSA: 69.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

The IUPAC name of 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8653517) is 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

What is the SMILES notation for 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

The canonical SMILES for 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(C)c(C)c3)c2=O)cc1.

What is the InChIKey of 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

The InChIKey is XZAIEXNPNSNHMT-MTJSOVHGSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-4-17-6-8-18(9-7-17)12-21-22(27)26(23(28-21)19(13-24)14-25)20-10-5-15(2)16(3)11-20/h5-12H,4H2,1-3H3/b21-12-.

What are the key properties of 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 385.49 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8653517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).