N2-{5-[(7-Chloro-4-Quinolyl)Thio]-1,3,4-Thiadiazol-2-Yl}Thiophene-2-Carboxamide

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Properties Simple | Detailed

Formula C16H9ClN4OS3
IUPAC Name n-[5-[(7-chloro-4-quinolyl)sulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
Molecular Mass 404.917 g·mol−1
Heat of Formation 440.8 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 421.63 Å 3
Surface Area 374.25 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • n-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
  • n-[5-[(7-chloro-4-quinolyl)sulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
  • n-[5-[(7-chloro-4-quinolyl)thio]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
  • n-[5-[(7-chloro-4-quinolyl)thio]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
  • rh 00426
InChIKey KWDHWMGDHBBJIA-UHFFFAOYSA-N
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