Cas no 104617-51-8 (6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole)

6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole is a heterocyclic compound featuring a tetrahydrobenzothiazole core functionalized with acetamido and amino groups. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research. The presence of both acetamido and amino moieties enhances its reactivity, making it a valuable intermediate for derivatization or further functionalization. Its tetrahydrobenzothiazole scaffold is of interest due to its potential bioactivity, often explored in drug discovery for targeting neurological or metabolic pathways. The compound's stability and well-defined chemical properties facilitate its use in controlled reactions, offering researchers a reliable building block for complex molecular architectures.
6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole structure
104617-51-8 structure
Product Name:6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole
CAS No:104617-51-8
MF:C9H13N3OS
MW:211.284020185471
CID:62491
PubChem ID:13670690
Update Time:2025-11-01

6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole Chemical and Physical Properties

Names and Identifiers

    • N-(2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)acetamide
    • N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-acetamide
    • (±)-6-ACETAMIDO-2-AMINO-4,5,6,7-TETRA-HYDROBENZOTHIAZOLE
    • 6-Acetylamino-2-amino-4,5,6,7-tetrahydrobenzothiazole
    • N-(2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide
    • 6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole
    • 6-acetylamino-2-amino-4,5,6,7-tetrahydro-benzthiazole
    • C9H13N3OS
    • AKOS015854775
    • FT-0682693
    • DTXSID90546341
    • N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)ethanamide
    • SCHEMBL3435133
    • QXKCTWPNUINDQK-UHFFFAOYSA-N
    • 6-acetamido-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole
    • A801020
    • J-522858
    • CS-0339657
    • 106006-80-8
    • KE-0229
    • 104617-51-8
    • E80384
    • DB-207357
    • Acetamide, N-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-, (+/-)-
    • MDL： MFCD09744008
    • Inchi： 1S/C9H13N3OS/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7/h6H,2-4H2,1H3,(H2,10,12)(H,11,13)
    • InChI Key： QXKCTWPNUINDQK-UHFFFAOYSA-N
    • SMILES： S1C(N)=NC2=C1CC(CC2)NC(C)=O

Computed Properties

  • Exact Mass: 211.07800
  • Monoisotopic Mass: 211.07793322g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 96.2?2

Experimental Properties

  • Density: 1.31
  • Boiling Point: 503.343 °C at 760 mmHg
  • Flash Point: 258.213 °C
  • Refractive Index: 1.608
  • PSA: 96.25000
  • LogP: 1.69080

6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole Security Information

6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole 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%

6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole Pricemore >>

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6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole Related Literature

Related Categories

Additional information on 6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole

Comprehensive Overview of 6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole (CAS No. 104617-51-8): Properties, Applications, and Research Insights

6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole (CAS No. 104617-51-8) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and biochemical research. This molecule, characterized by its unique tetrahydrobenzothiazole core and acetamido functional group, serves as a pivotal intermediate in the synthesis of bioactive molecules. Its structural versatility makes it a subject of interest for drug discovery, particularly in targeting neurological and metabolic disorders.

Recent trends in scientific literature highlight the growing demand for 6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole due to its potential role in modulating enzyme activity and receptor interactions. Researchers are actively exploring its derivatives for applications in neuroprotection and anti-inflammatory therapies, aligning with the global focus on neurodegenerative diseases like Alzheimer's and Parkinson's. The compound's CAS No. 104617-51-8 is frequently cited in patents related to central nervous system (CNS) therapeutics, reflecting its commercial and academic relevance.

From a synthetic chemistry perspective, 6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole exemplifies the convergence of medicinal chemistry and green chemistry principles. Modern protocols emphasize solvent-free or catalytic methods to produce this compound, addressing sustainability concerns—a topic highly searched in AI-driven drug development platforms. Analytical techniques such as HPLC and NMR are critical for quality control, ensuring compliance with regulatory standards for pharmaceutical intermediates.

The compound's mechanism of action often involves interactions with G-protein-coupled receptors (GPCRs), a hot topic in precision medicine research. This aligns with frequent search queries like "GPCR-targeted drugs" or "small molecule modulators for CNS diseases." Additionally, its tetrahydrobenzothiazole scaffold is structurally analogous to several FDA-approved drugs, making it a valuable template for structure-activity relationship (SAR) studies.

In the context of market dynamics, CAS No. 104617-51-8 is listed by major chemical suppliers as a high-purity reference standard, catering to contract research organizations (CROs) and academic labs. The compound's stability under physiological conditions further enhances its utility in in vitro and in vivo assays, a recurring theme in pharmacokinetic research discussions.

Future directions for 6-Acetamido-2-amino-4,5,6,7-tetrahydrobenzothiazole include exploration in bioconjugation techniques and prodrug formulations, areas gaining traction in targeted drug delivery systems. As the scientific community prioritizes multifunctional scaffolds, this compound's dual amino and acetamido functionalities position it as a promising candidate for next-generation therapeutics.

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