2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C20H10F3N3OS — CID 8863174

About 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8863174) has the molecular formula C20H10F3N3OS and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 8863174
• Molecular Formula: C20H10F3N3OS
• Molecular Weight: 397.38 g/mol
• Exact Mass: 397.05
• IUPAC Name: 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: Cc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccc(F)cc3F)c2=O)cc1F
• InChI: InChI=1S/C20H10F3N3OS/c1-11-2-5-15(8-16(11)22)26-19(27)18(28-20(26)13(9-24)10-25)6-12-3-4-14(21)7-17(12)23/h2-8H,1H3/b18-6+
• InChIKey: ZDUACMVTPWKJGG-NGYBGAFCSA-N
• XLogP: 2.65
• TPSA: 69.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.38
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8863174) is 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

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

The canonical SMILES for 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is Cc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccc(F)cc3F)c2=O)cc1F.

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

The InChIKey is ZDUACMVTPWKJGG-NGYBGAFCSA-N. The full InChI is InChI=1S/C20H10F3N3OS/c1-11-2-5-15(8-16(11)22)26-19(27)18(28-20(26)13(9-24)10-25)6-12-3-4-14(21)7-17(12)23/h2-8H,1H3/b18-6+.

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

2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 397.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8863174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).