ChemSpider 2D Image | 1-[5-Methyl-2-(trifluoromethyl)-3-furyl]-3-[5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)-4-pyrimidinyl]amino}ethyl)-1,3-thiazol-2-yl]urea | C18H17F3N10O2S

1-[5-Methyl-2-(trifluoromethyl)-3-furyl]-3-[5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)-4-pyrimidinyl]amino}ethyl)-1,3-thiazol-2-yl]urea

  • Molecular FormulaC18H17F3N10O2S
  • Average mass494.454 Da
  • Monoisotopic mass494.120880 Da
  • ChemSpider ID24670730

More details:

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

1-[5-Methyl-2-(trifluormethyl)-3-furyl]-3-[5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)-4-pyrimidinyl]amino}ethyl)-1,3-thiazol-2-yl]harnstoff [German] [ACD/IUPAC Name]
1-[5-Methyl-2-(trifluoromethyl)-3-furyl]-3-[5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)-4-pyrimidinyl]amino}ethyl)-1,3-thiazol-2-yl]urea [ACD/IUPAC Name]
1-[5-Méthyl-2-(trifluorométhyl)-3-furyl]-3-[5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)-4-pyrimidinyl]amino}éthyl)-1,3-thiazol-2-yl]urée [French] [ACD/IUPAC Name]
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
1126803-62-0 [RN]
Urea, N-[5-methyl-2-(trifluoromethyl)-3-furanyl]-N'-[5-[2-[[6-(1H-1,2,4-triazol-5-ylamino)-4-pyrimidinyl]amino]ethyl]-2-thiazolyl]- [ACD/Index Name]
1-(5-(2-((6-((1H-1,2,4-triazol-5-yl)amino)pyrimidin-4-yl)amino)ethyl)thiazol-2-yl)-3-(5-methyl-2-(trifluoromethyl)furan-3-yl)urea
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-[2-({6-[(1H-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl}amino)ethyl]-2,3-dihydro-1,3-thiazol-2-ylidene]urea
3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-3H-1,3-thiazol-2-ylidene]urea
3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1-[(2Z)-5-[2-({6-[(1H-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl}amino)ethyl]-2,3-dihydro-1,3-thiazol-2-ylidene]urea
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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: 1.723
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 156.07
ACD/KOC (pH 5.5): 1087.82
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 9.38
ACD/KOC (pH 7.4): 65.39
Polar Surface Area: 187 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

Click to predict properties on the Chemicalize site


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