2-[(2R)-2-Butanylamino]-N-[2-Methyl-5-(Methylcarbamoyl)Phenyl]-1,3-Thiazole-5-Carboxamide

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Properties Simple | Detailed

Formula C17H23N4O2S
IUPAC Name n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-[[(1r)-1-methylpropyl]amino]thiazol-3-ium-5-ide-5-carboxamide
Molecular Mass 347.455 g·mol−1
Heat of Formation -217.7 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 419.82 Å 3
Surface Area 383.53 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(sec-butylamino)-5-thiazolecarboxamide
  • n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(sec-butylamino)thiazole-5-carboxamide
InChIKey OYOUIHFZUAKCEF-LLVKDONJSA-N
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