(Αz)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-acetic acid

C₅H₆N₄O₃SCAS 72217-12-0202.19 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime

Properties

Molecular formula: C₅H₆N₄O₃S
Molar mass: 202.19 g/mol
Exact mass: 202.0161 Da
logP: -0.61Crippen estimate
Polar surface area: 111.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 3

Identifiers

CAS number

72217-12-0

SMILES

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

InChIKey

OSIJZKVBQPTIMT-WAPJZHGLSA-N

InChI

InChI=1S/C5H6N4O3S/c1-12-8-2(4(10)11)3-7-5(6)13-9-3/h1H3,(H,10,11)(H2,6,7,9)/b8-2-

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

Names and synonyms

3 names

1,2,4-Thiadiazole-3-acetic acid, 5-amino-α-(methoxyimino)-, (αZ)-
1,2,4-Thiadiazole-3-acetic acid, 5-amino-α-(methoxyimino)-, (Z)-
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(Z)-methoxyimino]acetic acid

Work with (Αz)-5-amino-α-(methoxyimino)-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-(ethoxyimino)-1,2,4-thiadiazole-3-acetic acid75028-24-971 % similar S-2-Benzothiazolyl (αz)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate89604-91-151 % similar (Αz)-2-amino-α-(methoxyimino)-4-thiazoleacetic acid65872-41-549 % similar (Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-742 % similar 2-Furanacetic acid, α-(methoxyimino)-, ammonium salt (1:1), (αz)-97148-39-538 % similar Cefozopran113359-04-937 % similar Cefozopran monohydrochloride113981-44-535 % similar 3-(1-Methylethyl)-1,2,4-thiadiazol-5-amine32039-21-733 % similar

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

Elsewhere

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