(5S)-2-{[(1S)-1-(2-Fluorophenyl)Ethyl]Amino}-5-Methyl-5-(Trifluoromethyl)-1,3-Thiazol-4(5H)-One

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Properties Simple | Detailed

Formula C13H12F4N2OS
IUPAC Name (5s)-2-[[(1s)-1-(2-fluorophenyl)ethyl]amino]-5-methyl-5-(trifluoromethyl)thiazol-4-one
Molecular Mass 320.306 g·mol−1
Heat of Formation -862.9 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 339.68 Å 3
Surface Area 292.35 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-2-[[(1s)-1-(2-fluorophenyl)ethyl]amino]-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4-one
  • (5s)-2-[[(1s)-1-(2-fluorophenyl)ethyl]amino]-5-methyl-5-(trifluoromethyl)-4-thiazolone
  • (5s)-2-[[(1s)-1-(2-fluorophenyl)ethyl]amino]-5-methyl-5-(trifluoromethyl)thiazol-4-one
InChIKey KNHNFKZUNFPPQE-MADCSZMMSA-N
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