N-(6-Amino-2-Pyridinyl)-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C15H21N5O2S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-(6-amino-2-pyridyl)pentanamide
Molecular Mass 335.425 g·mol−1
Heat of Formation -276.4 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 391.44 Å 3
Surface Area 357.68 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, n-(6-amino-2-pyridinyl)hexahydro-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • 2-amino-(6-amidobiotinyl)pyridine
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(6-amino-2-pyridyl)valeramide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(6-amino-2-pyridyl)pentanamide
CAS Number(s)
  • 153086-93-2
InChIKey HTVVZQSPJYVEDP-BHDSKKPTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N