ChemSpider 2D Image | 2-[(3-Hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-5-pyrimidinecarbonitrile | C16H14N6OS

2-[(3-Hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-5-pyrimidinecarbonitrile

  • Molecular FormulaC16H14N6OS
  • Average mass338.387 Da
  • Monoisotopic mass338.094971 Da
  • ChemSpider ID29397750

More details:






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

2-[(3-Hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-[(3-Hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-[(3-Hydroxyphényl)amino]-4-[4-méthyl-2-(méthylamino)-1,3-thiazol-5-yl]-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
2-[(3-Hydroxyphenyl)amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
5-Pyrimidinecarbonitrile, 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-5-thiazolyl]- [ACD/Index Name]
10.1021/jm301495v
T9N

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 336.3±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.84
ACD/KOC (pH 5.5): 414.32
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.61
ACD/KOC (pH 7.4): 411.34
Polar Surface Area: 135 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 91.2±5.0 dyne/cm
Molar Volume: 232.0±5.0 cm3

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