Biological Magnetic Resonance Data Bank

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

Ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C11H11N3O2S

Natural Isotopic Abundance Mass: 249.2889399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 249.057197607
  • C13N14: 260.09410082500017
  • C12N15: 252.04830228600002
  • C13N15: 263.08520550400027

InChI string: InChI=1S/C11H11N3O2S/c1-3-16-11(15)9-7(2)14-10(17-9)8-6-12-4-5-13-8/h4-6H,3H2,1-2H3

IUPAC: ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate

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,