(5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C18H12F3NO2S2 — CID 1318222

About (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

(5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 1318222) has the molecular formula C18H12F3NO2S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• PubChem CID: 1318222
• Molecular Formula: C18H12F3NO2S2
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.03
• IUPAC Name: (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• SMILES: CC(=C/c1ccco1)/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O
• InChI: InChI=1S/C18H12F3NO2S2/c1-11(8-14-6-3-7-24-14)9-15-16(23)22(17(25)26-15)13-5-2-4-12(10-13)18(19,20)21/h2-10H,1H3/b11-8-,15-9-
• InChIKey: HZOCEZBBBGIMHC-BTTAZIECSA-N
• XLogP: 5.65
• TPSA: 33.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	5.65
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)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 1318222) is (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is CC(=C/c1ccco1)/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O.

What is the InChIKey of (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The InChIKey is HZOCEZBBBGIMHC-BTTAZIECSA-N. The full InChI is InChI=1S/C18H12F3NO2S2/c1-11(8-14-6-3-7-24-14)9-15-16(23)22(17(25)26-15)13-5-2-4-12(10-13)18(19,20)21/h2-10H,1H3/b11-8-,15-9-.

What are the key properties of (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

(5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 395.43 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1318222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).