chempirical

Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate

C8H8N2O4SCAS 64987-03-7228.22 g/mol

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OOOSNHON
EsterKetone

Properties

Molecular formula
C8H8N2O4S
Molar mass
228.22 g/mol
Exact mass
228.0205 Da
logP
1.11Crippen estimate
Polar surface area
88.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
64987-03-7
SMILES
CCOC(=O)C(=O)c1csc(N=CO)n1
InChIKey
NTACMHVXGGGRQU-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O4S/c1-2-14-7(13)6(12)5-3-15-8(10-5)9-4-11/h3-4H,2H2,1H3,(H,9,10,11)

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Names and synonyms

3 names
  • Ethyl 2-(2-formylaminothiazol-4-yl)glyoxylate
  • 4-Thiazoleacetic acid, 2-(formylamino)-α-oxo-, ethyl ester
  • Ethyl 2-(2-formylamino-1,3-thiazol-4-yl)-2-oxoacetate

Work with Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate

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

2-(Formylamino)-α-oxo-4-thiazoleacetic acid64987-06-062 % similar Ethyl 2-(formylamino)-4-thiazoleacetate64987-05-959 % similar (Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-751 % similar 2-(Formylamino)-4-thiazoleacetic acid75890-68-546 % similar Ethyl 2-thienylglyoxylate4075-58-541 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-937 % similar Ethyl N-formylglycinate3154-51-635 % similar Ethyl (αz)-2-amino-α-(hydroxyimino)-4-thiazoleacetate64485-82-135 % similar

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

Elsewhere

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