ChemSpider 2D Image | (2S)-N-(4,5-Dihydro-1,3-thiazol-2-yl)-2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide | C17H19FN6O2S2

(2S)-N-(4,5-Dihydro-1,3-thiazol-2-yl)-2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide

  • Molecular FormulaC17H19FN6O2S2
  • Average mass422.500 Da
  • Monoisotopic mass422.099487 Da
  • ChemSpider ID62492196

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(5-{2-[(2-Fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2Z)-1,3-thiazolidin-2-ylidene]propanamide [ACD/IUPAC Name]
(2S)-2-[(5-{2-[(2-Fluorophényl)amino]-2-oxoéthyl}-4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2Z)-1,3-thiazolidin-2-ylidène]propanamide [French] [ACD/IUPAC Name]
(2S)-2-[(5-{2-[(2-Fluorphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2Z)-1,3-thiazolidin-2-yliden]propanamid [German] [ACD/IUPAC Name]
(2S)-N-(4,5-Dihydro-1,3-thiazol-2-yl)-2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide [ACD/IUPAC Name]
(2S)-N-(4,5-Dihydro-1,3-thiazol-2-yl)-2-[(5-{2-[(2-fluorophényl)amino]-2-oxoéthyl}-4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide [French] [ACD/IUPAC Name]
(2S)-N-(4,5-Dihydro-1,3-thiazol-2-yl)-2-[(5-{2-[(2-fluorphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamid [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-acetamide, 5-[[(1S)-2-[(4,5-dihydro-2-thiazolyl)amino]-1-methyl-2-oxoethyl]thio]-N-(2-fluorophenyl)-4-methyl- [ACD/Index Name]
4H-1,2,4-Triazole-3-acetamide, N-(2-fluorophenyl)-4-methyl-5-[[(1S)-1-methyl-2-oxo-2-[(2Z)-2-thiazolidinylideneamino]ethyl]thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 93.96
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 104.67
Polar Surface Area: 152 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 279.7±7.0 cm3

Click to predict properties on the Chemicalize site


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