5-(methoxymethyl)-1,3,4-thiadiazol-2-amine

5-(methoxymethyl)-1,3,4-thiadiazol-2-amine bmse011749 - Data bmse011910 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C4H7N3OS

Natural Isotopic Abundance Mass: 145.18287999999993

Mono-Isotopic Molecular Masses:

  • C12N14: 145.030982859
  • C13N14: 149.044402211
  • C12N15: 148.022087538
  • C13N15: 152.03550689000002

InChI string: InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)

wwPDB CCD: UVS

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, https://www.nature.com/articles/sdata201773)