ChemSpider 2D Image | N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)-L-alaninamide | C16H21N3OS

N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)-L-alaninamide

  • Molecular FormulaC16H21N3OS
  • Average mass303.422 Da
  • Monoisotopic mass303.140533 Da
  • ChemSpider ID23246969

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)-L-alaninamide
N-[5-(2-Methyl-2-propanyl)-4-phenyl-1,3-thiazol-2-yl]-L-alaninamid [German] [ACD/IUPAC Name]
N-[5-(2-Methyl-2-propanyl)-4-phenyl-1,3-thiazol-2-yl]-L-alaninamide [ACD/IUPAC Name]
N-[5-(2-Méthyl-2-propanyl)-4-phényl-1,3-thiazol-2-yl]-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[5-(1,1-dimethylethyl)-4-phenyl-2-thiazolyl]-, (2S)- [ACD/Index Name]
(S)-2-Amino-N-(5-tert-butyl-4-phenyl-thiazol-2-yl)-propionamide
SMAC mimetic compound 20d

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 14.49
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 23.43
ACD/KOC (pH 7.4): 196.12
Polar Surface Area: 96 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

Click to predict properties on the Chemicalize site


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