2-{4-[2-(Trifluoromethyl)Benzoyl]-1-Piperazinyl}-1,3-Thiazole-5-Carboxamide

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Properties Simple | Detailed

Formula C16H15F3N4O2S
IUPAC Name 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]thiazole-5-carboxamide
Molecular Mass 384.376 g·mol−1
Heat of Formation -736.3 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 407.77 Å 3
Surface Area 343.89 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
  • 2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-5-thiazolecarboxamide
InChIKey XCYAUDKMHBMJSP-UHFFFAOYSA-N
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