N-{1-[(Cyanomethyl)Carbamoyl]Cyclohexyl}-4-[2-(4-Methyl-1-Piperazinyl)-1,3-Thiazol-4-Yl]Benzamide

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Properties Simple | Detailed

Formula C24H30N6O2S
IUPAC Name n-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)thiazol-4-yl]benzamide
Molecular Mass 466.599 g·mol−1
Heat of Formation 9.9 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 562.74 Å 3
Surface Area 477.19 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • n-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)thiazol-4-yl]benzamide
  • n-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]benzamide
InChIKey FIVYCSWOCXEWSE-UHFFFAOYSA-N
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