BMRB

Biological Magnetic Resonance Data Bank


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

3-methyl-5-(propylamino)-1,2-thiazole-4-carbonitrile

3-methyl-5-(propylamino)-1,2-thiazole-4-carbonitrile bmse012075 - Data

3-methyl-5-(propylamino)-1,2-thiazole-4-carbonitrile synonyms

Wikipedia:

Graphical representations:

3-methyl-5-(propylamino)-1,2-thiazole-4-carbonitrile

View large 3D structure

Molecular Formula: C8H11N3S

Natural Isotopic Abundance Mass: 181.25804

Mono-Isotopic Molecular Masses:

  • C12N14: 181.067368367
  • C13N14: 189.09420707100003
  • C12N15: 184.05847304600002
  • C13N15: 192.08531175000005

InChI string: InChI=1S/C8H11N3S/c1-3-4-10-8-7(5-9)6(2)11-12-8/h10H,3-4H2,1-2H3

EU-OPENSCREEN: EOS102797

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)