(5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C20H17F2NO2S2 — CID 89491285

About (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 89491285) has the molecular formula C20H17F2NO2S2 and a molecular weight of 405.49 g/mol. Its IUPAC name is (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 89491285
• Molecular Formula: C20H17F2NO2S2
• Molecular Weight: 405.49 g/mol
• Exact Mass: 405.07
• IUPAC Name: (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: Cc1ccc(F)c(F)c1-c1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)o1
• InChI: InChI=1S/C20H17F2NO2S2/c1-11-6-8-14(21)18(22)17(11)15-9-7-13(25-15)10-16-19(24)23(20(26)27-16)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b16-10-
• InChIKey: IIYLSRIMLHZRON-YBEGLDIGSA-N
• XLogP: 5.68
• TPSA: 33.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.49
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 89491285) is (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(F)c(F)c1-c1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)o1.

What is the InChIKey of (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is IIYLSRIMLHZRON-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H17F2NO2S2/c1-11-6-8-14(21)18(22)17(11)15-9-7-13(25-15)10-16-19(24)23(20(26)27-16)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b16-10-.

What are the key properties of (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 405.49 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 89491285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).