2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C18H9F2N3OS2 — CID 8653473

About 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8653473) has the molecular formula C18H9F2N3OS2 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 8653473
• Molecular Formula: C18H9F2N3OS2
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.02
• IUPAC Name: 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: Cc1ccsc1/C=c1\sc(=C(C#N)C#N)n(-c2ccc(F)cc2F)c1=O
• InChI: InChI=1S/C18H9F2N3OS2/c1-10-4-5-25-15(10)7-16-17(24)23(18(26-16)11(8-21)9-22)14-3-2-12(19)6-13(14)20/h2-7H,1H3/b16-7-
• InChIKey: OLGKZLSWGWRRHQ-APSNUPSMSA-N
• XLogP: 2.57
• TPSA: 69.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8653473) is 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

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

The canonical SMILES for 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is Cc1ccsc1/C=c1\sc(=C(C#N)C#N)n(-c2ccc(F)cc2F)c1=O.

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

The InChIKey is OLGKZLSWGWRRHQ-APSNUPSMSA-N. The full InChI is InChI=1S/C18H9F2N3OS2/c1-10-4-5-25-15(10)7-16-17(24)23(18(26-16)11(8-21)9-22)14-3-2-12(19)6-13(14)20/h2-7H,1H3/b16-7-.

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

2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 385.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8653473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).