Ethyl 2-(acetyl-methylamino)-4-methyl-1,3-thiazole-5-carboxylate

Ethyl 2-(acetyl-methylamino)-4-methyl-1,3-thiazole-5-carboxylate bmse011291 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H14N2O3S

Natural Isotopic Abundance Mass: 242.29475999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 242.072513318
  • C13N14: 252.10606169800005
  • C12N15: 244.06658310400002
  • C13N15: 254.10013148400006

InChI string: InChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)11-10(16-8)12(4)7(3)13/h5H2,1-4H3

IUPAC: ethyl 2-(acetyl-methylamino)-4-methyl-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, https://www.nature.com/articles/sdata201773)