(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

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-

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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

(Αz)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-acetic acid72217-12-071 % similar S-2-Benzothiazolyl (αz)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate89604-91-137 % similar (Αz)-2-amino-α-(methoxyimino)-4-thiazoleacetic acid65872-41-536 % similar (Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-733 % similar Cefozopran113359-04-931 % similar 3-(1-Methylethyl)-1,2,4-thiadiazol-5-amine32039-21-731 % similar Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, acetate, hydrate (1:1:1)866021-48-931 % similar Cefozopran monohydrochloride113981-44-530 % similar

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

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