chempirical

5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione

C12H7N3O2SCAS 648450-29-7257.27 g/mol

Open in Covalent MOL file
NNOHNOS
AlkeneAmideLactamSulfide

Properties

Molecular formula
C12H7N3O2S
Molar mass
257.27 g/mol
Exact mass
257.0259 Da
logP
1.95Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1
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. Search the SDS library

Identifiers

CAS number
648450-29-7
SMILES
C1=CC2=NC=CN=C2C=C1/C=C/3\C(=O)NC(=O)S3
InChIKey
SQWZFLMPDUSYGV-UXBLZVDNSA-N
InChI
InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6+

Weigh it out

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Work with 5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione

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-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione958852-01-265 % similar Smi-16A587852-28-651 % similar Quinoxaline-6-carbaldehyde130345-50-543 % similar (E)-5-((5-(4-Fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione1218777-13-942 % similar 6-Quinoxalinecarboxylic acid6925-00-434 % similar 1-(Quinoxalin-6-ylcarbonyl)piperidine154235-83-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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