chempirical

2-Acetylamino-5-mercapto-1,3,4-thiadiazole

C4H5N3OS2CAS 32873-56-6175.22 g/mol

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OHNNNSHS
Thiol

Properties

Molecular formula
C4H5N3OS2
Molar mass
175.22 g/mol
Exact mass
174.9874 Da
Melting point
208–210 °C (decomposes)
logP
1.43Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Identifiers

CAS number
32873-56-6
SMILES
CC(O)=Nc1nnc(S)s1
InChIKey
DWSMAMSVZRCQMP-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)

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Names and synonyms

8 names
  • Acetamide, N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-
  • Acetamide, N-(5-mercapto-1,3,4-thiadiazol-2-yl)-
  • 1,3,4-Thiadiazole-2-thiol, 5-acetamido-
  • N-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)acetamide
  • 2-Acetamido-5-mercapto-1,3,4-thiadiazole
  • 5-Acetylamino-1,3,4-thiadiazoline-2-thione
  • 2-(Acetylamino)-1,3,4-thiadiazol-5-mercaptan
  • NSC 97893

Work with 2-Acetylamino-5-mercapto-1,3,4-thiadiazole

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

Acetazolamide59-66-549 % similar 5-Methylthio-1,3,4-thiadiazole-2-thiol6264-40-042 % similar N-2-Thiazolylacetamide2719-23-542 % similar 2,5-Dimercapto-1,3,4-thiadiazole1072-71-541 % similar 2-Mercapto-5-methyl-1,3,4-thiadiazole29490-19-538 % similar 2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid53723-88-937 % similar 2-(Acetylamino)-5-nitrothiazole140-40-936 % similar 4-Acetamidothiophenol1126-81-436 % similar

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

Elsewhere

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