ChemSpider 2D Image | N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)-2-pyridinecarboxamide | C18H19F2N5O3S2

N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)-2-pyridinecarboxamide

  • Molecular FormulaC18H19F2N5O3S2
  • Average mass455.502 Da
  • Monoisotopic mass455.089722 Da
  • ChemSpider ID71045570

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[2-[(4aR,6S,8aR)-2-amino-4,4a,5,6-tetrahydro-6-methylpyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-4-thiazolyl]-5-(difluoromethoxy)- [ACD/Index Name]
N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluormethoxy)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{2-[(4aR,6S,8aR)-2-Amino-6-méthyl-4,4a,5,6-tétrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluorométhoxy)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
1818339-66-0 [RN]
1818339-66-0 (free base)
MFCD31657420
N-(2-((4Ar,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide
N-(2-((4aR,6S,8aR)-2-Amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano(3,4-d)(1,3)thiazin-8a-yl)thiazol-4-yl)-5-(difluoromethoxy)pyridine-2-carboxamide
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.50
ACD/KOC (pH 5.5): 186.08
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.73
ACD/KOC (pH 7.4): 190.27
Polar Surface Area: 165 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 273.3±7.0 cm3

Click to predict properties on the Chemicalize site


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