Cas no 1000339-77-4 (2-(Piperidin-1-YL)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid)

2-(Piperidin-1-YL)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid structure
1000339-77-4 structure
Product Name:2-(Piperidin-1-YL)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid
CAS No:1000339-77-4
MF:C10H11F3N2O2S
MW:280.266751527786
MDL:MFCD09743735
CID:3046400
PubChem ID:26986041
Update Time:2024-11-05

2-(Piperidin-1-YL)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Piperidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid
    • 2-(Piperidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylic acid
    • 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
    • 2-(piperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
    • SCHEMBL2145658
    • CS-0271818
    • 1000339-77-4
    • EN300-336158
    • 2-(Piperidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylicacid
    • GETINQADFJCORZ-UHFFFAOYSA-N
    • AKOS015854126
    • 2-(Piperidin-1-YL)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid
    • MDL: MFCD09743735
    • Inchi: 1S/C10H11F3N2O2S/c11-10(12,13)7-6(8(16)17)18-9(14-7)15-4-2-1-3-5-15/h1-5H2,(H,16,17)
    • InChI Key: GETINQADFJCORZ-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(C(F)(F)F)N=C1N1CCCCC1

Computed Properties

  • Exact Mass: 280.049333g/mol
  • Monoisotopic Mass: 280.049333g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 321
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 280.27g/mol
  • XLogP3: 3
  • Topological Polar Surface Area: 81.7

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 395.5±52.0 °C at 760 mmHg
  • Flash Point: 193.0±30.7 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2-(Piperidin-1-YL)-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid Security Information

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