ChemSpider 2D Image | N-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C15H22N4O2S2

N-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC15H22N4O2S2
  • Average mass354.491 Da
  • Monoisotopic mass354.118408 Da
  • ChemSpider ID28823249

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(4,5-dimethyl-2-thiazolyl)hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-(4,5-Diméthyl-1,3-thiazol-2-yl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
1246056-49-4 [RN]
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.606
    Molar Refractivity: 94.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 45.67
    ACD/KOC (pH 5.5): 533.61
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 46.29
    ACD/KOC (pH 7.4): 540.88
    Polar Surface Area: 137 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 274.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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