ChemSpider 2D Image | (4S)-4-Amino-N-isopropyl-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-L-prolinamide | C13H21N5O2S2

(4S)-4-Amino-N-isopropyl-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-L-prolinamide

  • Molecular FormulaC13H21N5O2S2
  • Average mass343.468 Da
  • Monoisotopic mass343.113678 Da
  • ChemSpider ID29618600

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-Amino-N-isopropyl-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-4-Amino-N-isopropyl-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-L-prolinamide [ACD/IUPAC Name]
(4S)-4-Amino-N-isopropyl-1-{2-[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]acétyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-amino-N-(1-methylethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]-, (2S,4S)- [ACD/Index Name]
(2S,4S)-4-amino-N-isopropyl-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}pyrrolidine-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.13
Polar Surface Area: 155 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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