Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2_amino_5_ethyl_1_3_4_thiadiazole synonyms

BRN 0113614; 1,3,4-Thiadiazol-2-amine, 5-ethyl-; 1,3,4-THIADIAZOLE, 2-AMINO-5-ETHYL-


Graphical representations:


View large 3D structure

Molecular Formula: C4H7N3S

Natural Isotopic Abundance Mass: 129.1834800000

Mono-Isotopic Molecular Masses:

  • C12N14: 129.03606793
  • C13N14: 133.049487282
  • C12N15: 132.02717261
  • C13N15: 133.049487282

InChI string: InChI=1/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)/f/h5H2

IUPAC: 5-ethyl-1,3,4-thiadiazol-2-amine

PubChem Compound (CID): 26444
CAS Registry number: 14068-53-2
EINECS: 237-921-4
Beilstein Handbook Reference: 4-27-00-08073
NSC: 75711

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,