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

C21H15N3O2S — CID 8653395

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

2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8653395) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 8653395
• Molecular Formula: C21H15N3O2S
• Molecular Weight: 373.44 g/mol
• Exact Mass: 373.09
• IUPAC Name: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: COc1ccccc1/C=c1\sc(=C(C#N)C#N)n(-c2ccccc2C)c1=O
• InChI: InChI=1S/C21H15N3O2S/c1-14-7-3-5-9-17(14)24-20(25)19(27-21(24)16(12-22)13-23)11-15-8-4-6-10-18(15)26-2/h3-11H,1-2H3/b19-11-
• InChIKey: LFJDDPGLPMBGFK-ODLFYWEKSA-N
• XLogP: 2.24
• TPSA: 78.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.44
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8653395) is 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

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

The canonical SMILES for 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is COc1ccccc1/C=c1\sc(=C(C#N)C#N)n(-c2ccccc2C)c1=O.

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

The InChIKey is LFJDDPGLPMBGFK-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H15N3O2S/c1-14-7-3-5-9-17(14)24-20(25)19(27-21(24)16(12-22)13-23)11-15-8-4-6-10-18(15)26-2/h3-11H,1-2H3/b19-11-.

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

2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 373.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8653395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).