2-Aminothiazole - CAS 96-50-4
Catalog: |
BB041979 |
Product Name: |
2-Aminothiazole |
CAS: |
96-50-4 |
Synonyms: |
1,3-thiazol-2-amine |
IUPAC Name: | 1,3-thiazol-2-amine |
Description: | Aminothiazole can be used as a thyroid inhibitor and it has antibacterial activity. |
Molecular Weight: | 100.14 |
Molecular Formula: | C3H4N2S |
Canonical SMILES: | C1=CSC(=N1)N |
InChI: | InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5) |
InChI Key: | RAIPHJJURHTUIC-UHFFFAOYSA-N |
Boiling Point: | 117 °C (15 mmHg) |
Melting Point: | 91-93 °C(lit.) |
Flash Point: | 84.7±18.7 °C |
Purity: | > 98 % |
Density: | 1.3±0.1 g/cm3 |
Solubility: | In Vitro: DMSO : ≥ 50 mg/mL(499.30 mM) In Vivo: 1.Add each solvent one by one:10% DMSO >>40%PEG300 >>5%Tween-80 >>45% saline Solubility: ≥ 2.5 mg/mL (24.97 mM); Clear solution 2.Add each solvent one by one:10% DMSO >>90% (20%SBE-β-CDin saline) Solubility: ≥ 2.5 mg/mL (24.97 mM); Clear solution |
Appearance: | Yellow to reddish brown (Solid) |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00005325 |
LogP: | 1.30650 |
Vapor Pressure: | 0.1±0.4 mmHg at 25°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015197510-A1 | Near-infrared fluorogenic porphycene derivatives as fluorescent labels for photodiagnosis and phototherapeutic use | 20140623 |
US-2015361100-A1 | Indolizine derivatives as phoshoinositide 3-kinases inhibitors | 20140617 |
WO-2015193263-A1 | Indolizine derivatives as phoshoinositide 3-kinases inhibitors | 20140617 |
WO-2015189555-A1 | Complexes | 20140612 |
WO-2015185531-A1 | Bicyclic compounds as pesticides | 20140605 |
PMID | Publication Date | Title | Journal |
29598909 | 20180515 | Dibenzofuran, dibenzothiophene and N-methyl carbazole tethered 2-aminothiazoles and their cinnamamides as potent inhibitors of Mycobacterium tuberculosis | Bioorganic & medicinal chemistry letters |
29395975 | 20180215 | Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1 | Bioorganic & medicinal chemistry letters |
28406646 | 20170511 | Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity | Journal of medicinal chemistry |
27171280 | 20160101 | Synthesis and Evaluation of the 2-Aminothiazoles as Anti-Tubercular Agents | PloS one |
24486398 | 20140315 | Identification of a novel GPR81-selective agonist that suppresses lipolysis in mice without cutaneous flushing | European journal of pharmacology |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.00951931 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.00951931 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Amines and Anilines
Oxazole/Thiazole
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