ChemSpider 2D Image | 2-{2-[(3,5-Dimethylphenyl)amino]-4-pyrimidinyl}-N-[(2S)-1-hydroxy-2-propanyl]-4-methyl-1,3-thiazole-5-carboxamide | C20H23N5O2S

2-{2-[(3,5-Dimethylphenyl)amino]-4-pyrimidinyl}-N-[(2S)-1-hydroxy-2-propanyl]-4-methyl-1,3-thiazole-5-carboxamide

  • Molecular FormulaC20H23N5O2S
  • Average mass397.494 Da
  • Monoisotopic mass397.157257 Da
  • ChemSpider ID24714373
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-{2-[(3,5-Dimethylphenyl)amino]-4-pyrimidinyl}-N-[(2S)-1-hydroxy-2-propanyl]-4-methyl-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
2-{2-[(3,5-Dimethylphenyl)amino]-4-pyrimidinyl}-N-[(2S)-1-hydroxy-2-propanyl]-4-methyl-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]
2-{2-[(3,5-Diméthylphényl)amino]-4-pyrimidinyl}-N-[(2S)-1-hydroxy-2-propanyl]-4-méthyl-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
5-Thiazolecarboxamide, 2-[2-[(3,5-dimethylphenyl)amino]-4-pyrimidinyl]-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl- [ACD/Index Name]
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
685

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.83
ACD/KOC (pH 5.5): 1108.22
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.84
ACD/KOC (pH 7.4): 1108.28
Polar Surface Area: 128 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

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