2-Amino-α-oxo-4-thiazoleacetic acid

C₅H₄N₂O₃SCAS 73150-67-1172.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₅H₄N₂O₃S
Molar mass: 172.16 g/mol
Exact mass: 171.9943 Da
logP: -0.18Crippen estimate
Polar surface area: 94.0 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

73150-67-1

SMILES

N=c1[nH]c(C(=O)C(=O)O)cs1

InChIKey

VMASTYPGLHRVNL-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N2O3S/c6-5-7-2(1-11-5)3(8)4(9)10/h1H,(H2,6,7)(H,9,10)

Weigh it out

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

Names and synonyms

8 names

4-Thiazoleacetic acid, 2-amino-alpha-oxo-
4-Thiazoleacetic acid, 2-amino-α-oxo-
2-(2-Aminothiazol-4-yl)glyoxylic acid
2-(2-Aminothiazol-4-yl)-2-oxoacetic acid
2-(2-Amino-1,3-thiazol-4-yl)-2-oxoacetic acid
2-Oxo-2-(2-aminothiazol-4-yl)acetic acid
2-Amino-4-thiazoleglyoxylic acid
(2-Amino-4-thiazolyl)glyoxylic acid

Work with 2-Amino-α-oxo-4-thiazoleacetic 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

(alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid65872-41-556 % similar 2-Amino-4-thiazoleacetic acid29676-71-947 % similar Ethyl 2-aminothiazole-4-carboxylate5398-36-745 % similar (αZ)-2-Amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic acid86299-47-044 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-942 % similar Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate64485-82-140 % similar 2-Thiopheneglyoxylic acid4075-59-639 % similar 2-Amino-4-methylthiazole1603-91-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook