(Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid

C₇H₇N₃O₄SCAS 65872-43-7229.21 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime

Properties

Molecular formula: C₇H₇N₃O₄S
Molar mass: 229.21 g/mol
Exact mass: 229.0157 Da
logP: 0.80Crippen estimate
Polar surface area: 104.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

65872-43-7

SMILES

CO/N=C(C(=O)O)c1csc(N=CO)n1

InChIKey

NRRJNSWNWIDHOX-YHYXMXQVSA-N

InChI

InChI=1S/C7H7N3O4S/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11/h2-3H,1H3,(H,12,13)(H,8,9,11)/b10-5-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

(Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid
4-Thiazoleacetic acid, 2-(formylamino)-α-(methoxyimino)-, (αZ)-
4-Thiazoleacetic acid, 2-(formylamino)-α-(methoxyimino)-, (Z)-
(Z)-2-(2-Formylamino-4-thiazolyl)-2-(methoxyimino)acetic acid

Work with (Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid

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-Formamido-1,3-thiazol-4-yl)(oxo)acetic acid64987-06-063 % similar Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate64987-03-751 % similar Ethyl 2-formamidothiazol-4-acetate64987-05-945 % similar (alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid65872-41-545 % similar 2-(Formylamino)-4-thiazoleacetic acid75890-68-544 % similar 2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid72217-12-042 % similar 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-342 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid74440-05-441 % similar

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

Elsewhere

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