ChemSpider 2D Image | 2-({2-[1-(Cyanomethyl)-3-piperidinyl]-6-methyl-4-pyrimidinyl}amino)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-1,3-thiazole-4-carboxamide | C28H33N7O2S

2-({2-[1-(Cyanomethyl)-3-piperidinyl]-6-methyl-4-pyrimidinyl}amino)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-1,3-thiazole-4-carboxamide

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID68734572

More details:

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

2-({2-[1-(Cyanmethyl)-3-piperidinyl]-6-methyl-4-pyrimidinyl}amino)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-({2-[1-(Cyanomethyl)-3-piperidinyl]-6-methyl-4-pyrimidinyl}amino)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-({2-[1-(Cyanométhyl)-3-pipéridinyl]-6-méthyl-4-pyrimidinyl}amino)-N-[(4-phényltétrahydro-2H-pyran-4-yl)méthyl]-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[[2-[1-(cyanomethyl)-3-piperidinyl]-6-methyl-4-pyrimidinyl]amino]-N-[(tetrahydro-4-phenyl-2H-pyran-4-yl)methyl]- [ACD/Index Name]

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: 1.620
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 12.22
ACD/KOC (pH 5.5): 94.84
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 163.82
ACD/KOC (pH 7.4): 1271.43
Polar Surface Area: 144 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 420.6±3.0 cm3

Click to predict properties on the Chemicalize site


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