(E)-5-((5-(4-Fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione

C14H8FNO3SCAS 1218777-13-9289.28 g/mol

Open in Covalent MOL file
OOHNOSF
AlkeneAmideAryl halideLactamSulfide

Properties

Molecular formula
C14H8FNO3S
Molar mass
289.28 g/mol
Exact mass
289.0209 Da
logP
3.41Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1218777-13-9
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)NC(=O)S3)F
InChIKey
UFBTYTGRUBUUIL-KPKJPENVSA-N
InChI
InChI=1S/C14H8FNO3S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7+

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Names and synonyms

1 names
  • Cay10505

Work with (E)-5-((5-(4-Fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione648450-29-742 % similar 5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione958852-01-240 % similar Smi-16A587852-28-640 % similar 5-(4-Fluorophenyl)furan-2-carboxylic acid73269-32-639 % similar 4-(5-(((5Z)-3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid344897-95-633 % similar 5-(4-Bromophenyl)furfural20005-42-931 % similar 5-(4-Chlorophenyl)-2-furaldehyde34035-03-531 % similar 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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