Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate

C₇H₈N₂O₃SCAS 64987-08-2200.21 g/mol

Open in Covalent MOL file

Ester Ketone Primary amine

Properties

Molecular formula: C₇H₈N₂O₃S
Molar mass: 200.21 g/mol
Exact mass: 200.0256 Da
logP: 0.47Crippen estimate
Polar surface area: 82.3 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

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

64987-08-2

SMILES

CCOC(=O)C(=O)C1=CSC(=N1)N

InChIKey

XNVRKLCQBZTGNA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O3S/c1-2-12-6(11)5(10)4-3-13-7(8)9-4/h3H,2H2,1H3,(H2,8,9)

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Names and synonyms

1 names

Ethyl 2-(2-aminothiazol-4-yl)glyoxylate

Work with Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate

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

Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate64987-03-759 % similar Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate86299-46-952 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-350 % similar 2-Aminothiazole-4-carboxylic acid40283-41-846 % similar Ethyl 2-thienylglyoxylate4075-58-545 % similar Ethyl benzoylformate1603-79-845 % similar Ethyl 4-chlorobenzoylformate34966-48-842 % similar Ethyl 2-methylthiazole-4-carboxylate6436-59-542 % similar

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

Same formula

7-Amino-3-cephem-4-carboxylic acid36923-17-8 Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate38026-46-9

Elsewhere

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