ChemSpider 2D Image | N-{[5-(Difluoromethoxy)-2-pyridinyl]methyl}-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine | C12H9F2N5O2S

N-{[5-(Difluoromethoxy)-2-pyridinyl]methyl}-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC12H9F2N5O2S
  • Average mass325.294 Da
  • Monoisotopic mass325.044495 Da
  • ChemSpider ID64936615

More details:






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

2-Pyridinemethanamine, 5-(difluoromethoxy)-N-[5-(3-isoxazolyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
N-{[5-(Difluormethoxy)-2-pyridinyl]methyl}-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
N-{[5-(Difluoromethoxy)-2-pyridinyl]methyl}-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
N-{[5-(Difluorométhoxy)-2-pyridinyl]méthyl}-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 512.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.8±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.11
ACD/KOC (pH 5.5): 254.46
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.12
ACD/KOC (pH 7.4): 254.56
Polar Surface Area: 114 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 215.3±3.0 cm3

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