N-{4-[3,5-Bis(Trifluoromethyl)-1H-Pyrazol-1-Yl]Phenyl}-4-Methyl-1,2,3-Thiadiazole-5-Carboxamide

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Formula C15H9F6N5OS
IUPAC Name n-[4-[3,5-bis(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide
Molecular Mass 421.320 g·mol−1
Heat of Formation -926.5 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 416.93 Å 3
Surface Area 371.71 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • [n-{4-[3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide]
  • crac channel inhibitor, btp2
  • n-[4-[3,5-bis(trifluoromethyl)-1-pyrazolyl]phenyl]-4-methyl-5-thiadiazolecarboxamide
  • n-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
  • n-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide
  • n-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
  • sr-01000644222-1
InChIKey XPRZIORDEVHURQ-UHFFFAOYSA-N
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