chempirical

2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone

C19H21N3O2SCAS 105355-26-8355.46 g/mol

Open in Covalent MOL file
OSHNHNON
EtherSulfide

Properties

Molecular formula
C19H21N3O2S
Molar mass
355.46 g/mol
Exact mass
355.1354 Da
Melting point
187–188 °C
logP
3.81Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Identifiers

CAS number
105355-26-8
SMILES
CCc1ccc(CCOc2ccc(CC3SC(=N)N=C3O)cc2)nc1
InChIKey
ABGJULHDDNEULW-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)

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Names and synonyms

4 names
  • 4(5H)-Thiazolone, 2-amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-
  • 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone
  • Pioglitazone 2-imine
  • 2-Amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one

Work with 2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone

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

Pioglitazone111025-46-877 % similar Pioglitazone hydrochloride112529-15-473 % similar 5-[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-1,3-thiazolidine-2,4-dione144809-28-950 % similar 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine85583-54-646 % similar Rosiglitazone122320-73-442 % similar 5-[[4-[2-(N-Methyl-N-2-pyridylamino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione maleate155141-29-039 % similar 5-Ethyl-2-pyridineethanol5223-06-338 % similar Troglitazone97322-87-734 % similar

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

Elsewhere

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