chempirical

2-Amino-α-oxo-4-thiazoleacetic acid

C5H4N2O3SCAS 73150-67-1172.16 g/mol

Open in Covalent MOL file
HNHNOOOHS
Carboxylic acidKetone

Properties

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

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

7 names
  • 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

(Αz)-2-amino-α-(methoxyimino)-4-thiazoleacetic acid65872-41-556 % similar 2-Amino-4-thiazoleacetic acid29676-71-947 % similar Ethyl 2-amino-4-thiazolecarboxylate5398-36-745 % 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 (αz)-2-amino-α-(hydroxyimino)-4-thiazoleacetate64485-82-140 % similar 2-Thiopheneglyoxylic acid4075-59-639 % similar Ethyl (αz)-2-amino-α-(methoxyimino)-4-thiazoleacetate64485-88-737 % similar

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

Elsewhere

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