chempirical

(Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid

C7H7N3O4SCAS 65872-43-7229.21 g/mol

Open in Covalent MOL file
ONOOHSNHON
Carboxylic acidOxime

Properties

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

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

3 names
  • 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 (Αz)-2-(formylamino)-α-(methoxyimino)-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

2-(Formylamino)-α-oxo-4-thiazoleacetic acid64987-06-063 % similar Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate64987-03-751 % similar Ethyl 2-(formylamino)-4-thiazoleacetate64987-05-945 % similar (Αz)-2-amino-α-(methoxyimino)-4-thiazoleacetic acid65872-41-545 % similar 2-(Formylamino)-4-thiazoleacetic acid75890-68-544 % similar (Αz)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-acetic acid72217-12-042 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid128438-01-740 % similar 2-Furanacetic acid, α-(methoxyimino)-, ammonium salt (1:1), (αz)-97148-39-540 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook