4-{[4'-Methyl-2'-(Propionylamino)-4,5'-Bi-1,3-Thiazol-2-Yl]Amino}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C17H16N4O3S2
IUPAC Name 4-[[4-[4-methyl-2-(propanoylamino)thiazol-5-yl]thiazol-2-yl]amino]benzoic acid
Molecular Mass 388.464 g·mol−1
Heat of Formation -187.2 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 427.03 Å 3
Surface Area 390.57 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4'-methyl-2'-propionylamino-[4,5']bithiazolyl-2-ylamino)-benzoic acid
  • 4-[[4-(4-methyl-2-propionamido-thiazol-5-yl)thiazol-2-yl]amino]benzoic acid
  • 4-[[4-[4-methyl-2-(1-oxopropylamino)-5-thiazolyl]-2-thiazolyl]amino]benzoic acid
  • 4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid
  • bas 01247317
  • cbmicro_038340
  • oprea1_266984
  • oprea1_602434
InChIKey JOAXMWDTALNZFE-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N