BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

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

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

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

Wikipedia:

Graphical representations:

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

View large 3D structure

Molecular Formula: C4H7N3OS

Natural Isotopic Abundance Mass: 145.18287999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 145.030982859
  • C13N14: 149.044402211
  • C12N15: 148.02208753800002
  • C13N15: 152.03550689000002

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

BMRB Ligand Expo: UVS
EU-OPENSCREEN: EOS102619

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)