5-[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-1,3-thiazolidine-2,4-dione

C₁₉H₁₈N₂O₃SCAS 144809-28-9354.42 g/mol

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Alkene Ether Sulfide

Properties

Molecular formula: C₁₉H₁₈N₂O₃S
Molar mass: 354.42 g/mol
Exact mass: 354.1038 Da
logP: 4.43Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Identifiers

CAS number

144809-28-9

SMILES

CCc1ccc(CCOc2ccc(C=C3SC(=O)N=C3O)cc2)nc1

InChIKey

YNTUJOCADSTMCL-UHFFFAOYSA-N

InChI

InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)

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Names and synonyms

4 names

2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-
5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-2,4-thiazolidinedione
5-[4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene]thiazolidine-2,4-dione
5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzylidene]thiazolidine-2,4-dione

Work with 5-[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-1,3-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

Pioglitazone111025-46-859 % similar Pioglitazone hydrochloride112529-15-456 % similar 2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone105355-26-850 % similar 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine85583-54-647 % similar 5-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2,4-thiazolidinedione648449-76-740 % similar 5-Ethyl-2-pyridineethanol5223-06-337 % similar P-Diethylaminobenzylidenerhodanine35778-58-634 % similar 5-Ethylpicolinic acid770-08-133 % similar

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

Elsewhere

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