chempirical

Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate

C8H11N3O3SCAS 64485-88-7229.25 g/mol

Open in Covalent MOL file
OONOSNHHN
EsterOxime

Properties

Molecular formula
C8H11N3O3S
Molar mass
229.25 g/mol
Exact mass
229.0521 Da
Melting point
161–163 °C
logP
0.47Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
64485-88-7
SMILES
CCOC(=O)/C(=NOC)c1csc(=N)[nH]1
InChIKey
POBMBNPEUPDXRS-WDZFZDKYSA-N
InChI
InChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)/b11-6-

Weigh it out

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

Names and synonyms

7 names
  • Ethyl (αz)-2-amino-α-(methoxyimino)-4-thiazoleacetate
  • 4-Thiazoleacetic acid, 2-amino-α-(methoxyimino)-, ethyl ester, (αZ)-
  • 4-Thiazoleacetic acid, 2-amino-α-(methoxyimino)-, ethyl ester, (Z)-
  • 2-(2-Amino-4-thiazolyl)-2(Z)(methoxy)imino ethyl acetate
  • Ethyl 2-(2-aminothiazol-4-yl)-(Z)-2-(methoxyimino)acetate
  • Ethyl (Z)-[2-amino-4-thiazolyl](methoxyimino)acetate
  • Ethyl (Z)-(2-aminothiazol-4-yl)-α-methoxyiminoacetate

Work with Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-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

Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate64485-82-171 % similar (alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid65872-41-563 % similar Ethyl 2-aminothiazole-4-carboxylate5398-36-757 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-953 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-748 % similar 2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester80756-85-047 % similar Ceftizoxime68401-81-042 % similar Cefetamet65052-63-341 % similar

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

Same formula

P-Toluenesulfonylsemicarbazide10396-10-8 2-Aminosulfonyl-N,N-dimethylnicotinamide112006-75-4 Lamivudine134678-17-4

Elsewhere

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