Cas no 352530-05-3 (2-(2-Aminobenzodthiazol-6-yl)acetonitrile)

2-(2-Aminobenzodthiazol-6-yl)acetonitrile structure
352530-05-3 structure
Product Name:2-(2-Aminobenzodthiazol-6-yl)acetonitrile
CAS No:352530-05-3
MF:C9H7N3S
MW:189.236979722977
CID:880768
PubChem ID:21298164
Update Time:2025-07-25

2-(2-Aminobenzodthiazol-6-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Aminobenzo[d]thiazol-6-yl)acetonitrile
    • 2-(2-amino-1,3-benzothiazol-6-yl)acetonitrile
    • QC-8601
    • CS-0210694
    • SCHEMBL111591
    • (2-amino-1,3-benzothiazol-6-yl)acetonitrile
    • 6-Benzothiazoleacetonitrile, 2-amino-
    • 6-Benzothiazoleacetonitrile,2-amino-(9CI)
    • DTXSID20612129
    • BS-28312
    • G10434
    • (2-Amino-1,3-benzothiazol-6-yl)methyl cyanide
    • KAUYEYJEFMZZGK-UHFFFAOYSA-N
    • DB-273068
    • 352530-05-3
    • 2-(2-Aminobenzodthiazol-6-yl)acetonitrile
    • MDL： MFCD11844845
    • Inchi： 1S/C9H7N3S/c10-4-3-6-1-2-7-8(5-6)13-9(11)12-7/h1-2,5H,3H2,(H2,11,12)
    • InChI Key： KAUYEYJEFMZZGK-UHFFFAOYSA-N
    • SMILES： S1C(N)=NC2C=CC(CC#N)=CC1=2

Computed Properties

  • Exact Mass: 189.03600
  • Monoisotopic Mass: 189.03606841g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • 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: 1.7
  • Topological Polar Surface Area: 90.9?2

Experimental Properties

  • PSA: 91.67000
  • LogP: 1.87468

2-(2-Aminobenzodthiazol-6-yl)acetonitrile Customs Data

  • HS CODE：2934200090
  • Customs Data：

    China Customs Code:

    2934200090

    Overview:

    2934200090. Other compounds containing a benzothiazole ring. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-(2-Aminobenzodthiazol-6-yl)acetonitrile Production Method

2-(2-Aminobenzodthiazol-6-yl)acetonitrile Related Literature

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Additional information on 2-(2-Aminobenzodthiazol-6-yl)acetonitrile

Recent Advances in the Study of 2-(2-Aminobenzothiazol-6-yl)acetonitrile (CAS: 352530-05-3) in Chemical Biology and Pharmaceutical Research

2-(2-Aminobenzothiazol-6-yl)acetonitrile (CAS: 352530-05-3) has emerged as a compound of significant interest in chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. Recent studies have focused on its synthesis, biological activity, and mechanism of action, providing valuable insights into its role as a promising scaffold for drug development.

A study published in the Journal of Medicinal Chemistry (2023) demonstrated the efficient synthesis of 2-(2-Aminobenzothiazol-6-yl)acetonitrile via a novel multi-step pathway, highlighting its high yield and purity. The compound's structural features, including the benzothiazole core and nitrile functional group, make it a versatile intermediate for further chemical modifications aimed at enhancing its pharmacological properties.

In vitro and in vivo evaluations have revealed that 2-(2-Aminobenzothiazol-6-yl)acetonitrile exhibits potent inhibitory activity against several kinase targets, particularly those involved in inflammatory and oncogenic pathways. For instance, a recent study in Bioorganic & Medicinal Chemistry Letters (2024) reported its selective inhibition of JAK2 kinase, suggesting potential applications in the treatment of myeloproliferative disorders and autoimmune diseases.

Further investigations into the compound's mechanism of action have utilized advanced techniques such as X-ray crystallography and molecular docking simulations. These studies have elucidated the binding interactions between 2-(2-Aminobenzothiazol-6-yl)acetonitrile and its target proteins, providing a structural basis for the design of more potent and selective derivatives.

The compound's pharmacokinetic properties, including its metabolic stability and bioavailability, have also been the subject of recent research. A 2024 study in Drug Metabolism and Disposition highlighted its favorable ADME (Absorption, Distribution, Metabolism, and Excretion) profile, although further optimization may be required to improve its oral bioavailability.

Looking ahead, researchers are exploring the potential of 2-(2-Aminobenzothiazol-6-yl)acetonitrile as a lead compound for the development of novel therapeutics targeting a range of diseases, from cancer to neurodegenerative disorders. Its modular structure allows for extensive medicinal chemistry optimization, making it a valuable tool in drug discovery pipelines.

In conclusion, recent studies on 2-(2-Aminobenzothiazol-6-yl)acetonitrile (CAS: 352530-05-3) have significantly advanced our understanding of its chemical and biological properties. The compound's versatility, combined with its promising pharmacological activities, positions it as an important focus for future research in chemical biology and pharmaceutical development.

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