N,5-Dimethyl-2-{(4R,4'S,4''S)-4,4',4''-Trimethyl-2''-[(E)-2-Phenylvinyl]-4,4',4'',5,5',5''-Hexahydro-2,4':2',4''-Ter-1,3-Thiazol-4-Yl}-1,3-Oxazole-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C26H29N5O2S3
IUPAC Name n,5-dimethyl-2-[(4r)-4-methyl-2-[(4s)-4-methyl-2-[(4s)-4-methyl-2-[(e)-styryl]-5h-thiazol-4-yl]-5h-thiazol-4-yl]-5h-thiazol-4-yl]oxazole-4-carboxamide
Molecular Mass 539.736 g·mol−1
Heat of Formation 144.5 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 634.57 Å 3
Surface Area 532.88 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-thiangazole
  • 4-oxazolecarboxamide,2-(4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-(2-phenylethenyl)(2,4':2',4''-terthiazol)-4-yl)-n,5-dimethyl-, (4r-(2(2'(2''(e),4''s*),4's*),4r*))-
  • 4-oxazolecarboxamide,2-[4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-(2-phenylethenyl)[2,4':2',4''-terthiazol]-4-yl]-n,5-dimethyl-, [4r-[2[2'[2''(e),4''s*],4's*],4r*]]-
  • n,5-dimethyl-2-[(4r)-4-methyl-2-[(4s)-4-methyl-2-[(4s)-4-methyl-2-[(e)-2-phenylvinyl]-5h-thiazol-4-yl]-5h-thiazol-4-yl]-5h-thiazol-4-yl]-4-oxazolecarboxamide
  • n,5-dimethyl-2-[(4r)-4-methyl-2-[(4s)-4-methyl-2-[(4s)-4-methyl-2-[(e)-2-phenylvinyl]-5h-thiazol-4-yl]-5h-thiazol-4-yl]-5h-thiazol-4-yl]oxazole-4-carboxamide
  • thiangazole
CAS Number(s)
  • 138667-71-7
InChIKey IPNBHSCJCMEBFX-WMXIMKIMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N