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

C₈H₈N₂O₄SCAS 64987-03-7228.22 g/mol

Open in Covalent MOL file

Ester Ketone

Properties

Molecular formula: C₈H₈N₂O₄S
Molar mass: 228.22 g/mol
Exact mass: 228.0205 Da
logP: 1.11Crippen estimate
Polar surface area: 88.8 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed23.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

4 names

Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate
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)-alpha-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-Formamido-1,3-thiazol-4-yl)(oxo)acetic acid64987-06-062 % similar Ethyl 2-formamidothiazol-4-acetate64987-05-959 % similar Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate64987-08-259 % similar (Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid65872-43-751 % similar 2-(Formylamino)-4-thiazoleacetic acid75890-68-546 % similar Ethyl 2-thienylglyoxylate4075-58-541 % similar Ethyl benzoylformate1603-79-840 % similar Ethyl 4-chlorobenzoylformate34966-48-838 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook