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Search term: XYCAHFXOGWMTBZ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(5-{2-[(4-Amino-1-piperidinyl)methyl]-1,3-thiazol-4-yl}-4-ethyl-2-methyl-1H-pyrrol-3-yl)ethanone | C18H26N4OS

1-(5-{2-[(4-Amino-1-piperidinyl)methyl]-1,3-thiazol-4-yl}-4-ethyl-2-methyl-1H-pyrrol-3-yl)ethanone

  • Molecular FormulaC18H26N4OS
  • Average mass346.490 Da
  • Monoisotopic mass346.182739 Da
  • ChemSpider ID129271566

More details:

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

1-(5-{2-[(4-Amino-1-piperidinyl)methyl]-1,3-thiazol-4-yl}-4-ethyl-2-methyl-1H-pyrrol-3-yl)ethanon [German] [ACD/IUPAC Name]
1-(5-{2-[(4-Amino-1-piperidinyl)methyl]-1,3-thiazol-4-yl}-4-ethyl-2-methyl-1H-pyrrol-3-yl)ethanone [ACD/IUPAC Name]
1-(5-{2-[(4-Amino-1-pipéridinyl)méthyl]-1,3-thiazol-4-yl}-4-éthyl-2-méthyl-1H-pyrrol-3-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-[2-[(4-amino-1-piperidinyl)methyl]-4-thiazolyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 290.3±3.0 cm3

Click to predict properties on the Chemicalize site


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