3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one

C10H6FNOS2 — CID 140913427

IUPAC3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=C1SC(=S)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C10H6FNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-5H,1H2
InChIKeyXJZFDNODVWVBHE-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.70
Rot. Bonds1

About 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one

3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 140913427) has the molecular formula C10H6FNOS2 and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID140913427
Molecular FormulaC10H6FNOS2
Molecular Weight239.30 g/mol
Exact Mass238.99
IUPAC Name3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=C1SC(=S)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C10H6FNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-5H,1H2
InChIKeyXJZFDNODVWVBHE-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(5E)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352409
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27130699
3-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5035554
5-methylidene-3-[4-(4-pentylphenoxy)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 22359822
(5E)-3-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1202270
4-[[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 75128933
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6048376
(5E)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1360732
(5E)-5-[1-(4-fluorophenyl)ethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1332128
3-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2922254
2-[[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3274581

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one (CID 140913427) is 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one is C=C1SC(=S)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is XJZFDNODVWVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-5H,1H2.
What are the key properties of 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 239.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methylidene-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 140913427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).