(αZ)-5-Amino-α-(ethoxyimino)-1,2,4-thiadiazole-3-acetic acid

C₆H₈N₄O₃SCAS 75028-24-9216.22 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime

Properties

Molecular formula: C₆H₈N₄O₃S
Molar mass: 216.22 g/mol
Exact mass: 216.0317 Da
logP: -0.22Crippen estimate
Polar surface area: 111.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 4

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

75028-24-9

SMILES

CCO/N=C(C(=O)O)c1nc(=N)s[nH]1

InChIKey

UFTDZEXQFNFPFR-OQFOIZHKSA-N

InChI

InChI=1S/C6H8N4O3S/c1-2-13-9-3(5(11)12)4-8-6(7)14-10-4/h2H2,1H3,(H,11,12)(H2,7,8,10)/b9-3-

Weigh it out

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

Names and synonyms

2 names

1,2,4-Thiadiazole-3-acetic acid, 5-amino-α-(ethoxyimino)-, (αZ)-
1,2,4-Thiadiazole-3-acetic acid, 5-amino-α-(ethoxyimino)-, (Z)-

Work with (αZ)-5-Amino-α-(ethoxyimino)-1,2,4-thiadiazole-3-acetic 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-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid72217-12-071 % similar S-2-Benzothiazolyl (αZ)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate89604-91-137 % similar (alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid65872-41-536 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid74440-05-435 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-133 % similar (Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid65872-43-733 % similar Cefozopran113359-04-931 % similar 3-(1-Methylethyl)-1,2,4-thiadiazol-5-amine32039-21-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook