ChemSpider 2D Image | 5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(1,3-thiazol-2-yl)pentanamide | C13H18N4O2S2

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

  • Molecular FormulaC13H18N4O2S2
  • Average mass326.438 Da
  • Monoisotopic mass326.087128 Da
  • ChemSpider ID28823247

  • 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, hexahydro-2-oxo-N-2-thiazolyl-, (3aS,4S,6aR)- [ACD/Index Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(1,3-thiazol-2-yl)pentanamid [German] [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(1,3-thiazol-2-yl)pentanamide [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]-N-(1,3-thiazol-2-yl)pentanamide [French] [ACD/IUPAC Name]
1246056-45-0 [RN]
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(1,3-thiazol-2-yl)pentanamide
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-1,3-thiazol-2-ylpentanamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.621
    Molar Refractivity: 85.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): 1.64
    ACD/BCF (pH 5.5): 10.38
    ACD/KOC (pH 5.5): 185.65
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 10.34
    ACD/KOC (pH 7.4): 184.99
    Polar Surface Area: 137 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 58.0±3.0 dyne/cm
    Molar Volume: 241.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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