chempirical

Maem

C13H10N4O2S3CAS 84994-24-1350.43 g/mol

Open in Covalent MOL file
ONSNNH2SONS
OximePrimary amine

Properties

Molecular formula
C13H10N4O2S3
Molar mass
350.43 g/mol
Exact mass
349.9966 Da
logP
3.09Crippen estimate
Polar surface area
82.6 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
4
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
84994-24-1
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=S)OC2=NC3=CC=CC=C3S2
InChIKey
WRTVTCFELAEIEQ-YVLHZVERSA-N
InChI
InChI=1S/C13H10N4O2S3/c1-18-17-10(8-6-21-12(14)15-8)11(20)19-13-16-7-4-2-3-5-9(7)22-13/h2-6H,1H3,(H2,14,15)/b17-10-

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Names and synonyms

1 names
  • O-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate

Work with Maem

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

tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate158183-05-242 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid128438-01-737 % similar S-2-Benzothiazolyl (αZ)-5-amino-α-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioate89604-91-134 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-334 % similar 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-332 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid74440-05-432 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-131 % similar 2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide73250-68-730 % similar

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

Same formula

2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid S-2-benzothiazolyl ester80756-85-0

Elsewhere

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