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

C22H17N3OS — CID 8652910

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

2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8652910) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 8652910
• Molecular Formula: C22H17N3OS
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.11
• IUPAC Name: 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3cc(C)ccc3C)c2=O)cc1
• InChI: InChI=1S/C22H17N3OS/c1-14-5-8-17(9-6-14)11-20-21(26)25(22(27-20)18(12-23)13-24)19-10-15(2)4-7-16(19)3/h4-11H,1-3H3/b20-11-
• InChIKey: PUDHOKUQCYBACM-JAIQZWGSSA-N
• XLogP: 2.85
• TPSA: 69.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8652910) is 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

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

The canonical SMILES for 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3cc(C)ccc3C)c2=O)cc1.

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

The InChIKey is PUDHOKUQCYBACM-JAIQZWGSSA-N. The full InChI is InChI=1S/C22H17N3OS/c1-14-5-8-17(9-6-14)11-20-21(26)25(22(27-20)18(12-23)13-24)19-10-15(2)4-7-16(19)3/h4-11H,1-3H3/b20-11-.

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

2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 371.47 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8652910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).