chempirical

Ethyl (αz)-2-amino-α-(hydroxyimino)-4-thiazoleacetate

C7H9N3O3SCAS 64485-82-1215.23 g/mol

Open in Covalent MOL file
OONHOSNHHN
EsterOxime

Properties

Molecular formula
C7H9N3O3S
Molar mass
215.23 g/mol
Exact mass
215.0365 Da
logP
0.30Crippen estimate
Polar surface area
98.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

Identifiers

CAS number
64485-82-1
SMILES
CCOC(=O)/C(=NO)c1csc(=N)[nH]1
InChIKey
BTEPYCPXBCCSDL-YHYXMXQVSA-N
InChI
InChI=1S/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5-

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Names and synonyms

4 names
  • 4-Thiazoleacetic acid, 2-amino-α-(hydroxyimino)-, ethyl ester, (αZ)-
  • 4-Thiazoleacetic acid, 2-amino-α-(hydroxyimino)-, ethyl ester, (Z)-
  • Ethyl 2-(2-aminothiazol-4-yl)-(Z)-2-(hydroxyimino)acetate
  • Ethyl (Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

Work with Ethyl (αz)-2-amino-α-(hydroxyimino)-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

Ethyl (αz)-2-amino-α-(methoxyimino)-4-thiazoleacetate64485-88-771 % similar Ethyl 2-amino-4-thiazolecarboxylate5398-36-758 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-954 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-749 % similar (Αz)-2-amino-α-(methoxyimino)-4-thiazoleacetic acid65872-41-548 % similar Ethyl 2-oximinooxamate10489-74-442 % similar Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-042 % similar 2-Amino-α-oxo-4-thiazoleacetic acid73150-67-140 % similar

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

Elsewhere

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