Cas no 850877-58-6 (5-(2-methylthiazol-4-yl)isoindoline)

5-(2-methylthiazol-4-yl)isoindoline structure
850877-58-6 structure
Product Name:5-(2-methylthiazol-4-yl)isoindoline
CAS No:850877-58-6
MF:C12H12N2S
MW:216.302081108093
CID:2118651
PubChem ID:57564076
Update Time:2025-04-21

5-(2-methylthiazol-4-yl)isoindoline Chemical and Physical Properties

Names and Identifiers

    • 5-(2-methylthiazol-4-yl)isoindoline
    • SCHEMBL329882
    • 850877-58-6
    • DA-38759
    • Inchi: 1S/C12H12N2S/c1-8-14-12(7-15-8)9-2-3-10-5-13-6-11(10)4-9/h2-4,7,13H,5-6H2,1H3
    • InChI Key: SKXBWOOGHSLDBQ-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC(=C1)C1C=CC2CNCC=2C=1

Computed Properties

  • Exact Mass: 216.07211956Da
  • Monoisotopic Mass: 216.07211956Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 53.2?2

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