Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate

C₇H₉N₃O₃SCAS 64485-82-1215.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉N₃O₃S
Molar mass: 215.23 g/mol
Exact mass: 215.0365 Da
logP: 0.30Crippen estimate
Polar surface area: 98.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

5 names

Ethyl (αz)-2-amino-α-(hydroxyimino)-4-thiazoleacetate
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 2-amino-alpha-(hydroxyimino)thiazol-4-acetate

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 (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate64485-88-771 % similar Ethyl 2-aminothiazole-4-carboxylate5398-36-758 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-954 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-749 % similar (alphaZ)-2-Amino-alpha-(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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