2-Aminothiazol-4-acetic acid - CAS 29676-71-9
Catalog: |
BB020267 |
Product Name: |
2-Aminothiazol-4-acetic acid |
CAS: |
29676-71-9 |
Synonyms: |
2-(2-amino-1,3-thiazol-4-yl)acetic acid |
IUPAC Name: | 2-(2-amino-1,3-thiazol-4-yl)acetic acid |
Description: | 2-Amino-4-thiazoleacetic Acid is a reagent used in the preparation of thiazole- and imidazole-containing peptidomimetic inhibitors of farnesyltransferase. |
Molecular Weight: | 158.18 |
Molecular Formula: | C5H6N2O2S |
Canonical SMILES: | C1=C(N=C(S1)N)CC(=O)O |
InChI: | InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9) |
InChI Key: | DYCLHZPOADTVKK-UHFFFAOYSA-N |
Boiling Point: | 399 °C at 760 mmHg |
Melting Point: | 117.5-118°C |
Purity: | > 95 % |
Density: | 1.552 g/cm3 |
Solubility: | less than 1 mg/mL at 70 °F |
Appearance: | Almost white to light beige crystalline powder |
Storage: | Refrigerator |
MDL: | MFCD00010068 |
LogP: | 0.93360 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 4.4E-07mmHg at 25°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480455-A | Preparation method of mirabegron related substance and intermediate thereof | 20210719 |
CN-113336719-A | Novel thiazole azo dye and preparation method thereof | 20210520 |
CN-112079724-A | Preparation method of dehydroxy mirabegron and intermediate thereof | 20200917 |
CN-111533710-A | Method for preparing cefotiam intermediate 2-aminothiazole-4-acetic acid by one-pot method | 20200602 |
CN-111662246-A | Mirabegron impurity compound and preparation method and application thereof | 20200515 |
PMID | Publication Date | Title | Journal |
22719339 | 20120601 | Dichloridobis[ethyl 2-(2-amino-1,3-thia-zol-4-yl)acetate-κ(2)O,N(3)]cadmium | Acta crystallographica. Section E, Structure reports online |
21802946 | 20110915 | Thiazole- and imidazole-containing peptidomimetic inhibitors of protein farnesyltransferase | Bioorganic & medicinal chemistry letters |
21578564 | 20091104 | Bis(2-amino-thia-zole-4-acetato)aquazinc(II) | Acta crystallographica. Section E, Structure reports online |
21583027 | 20090520 | Aqua-bis(2-amino-1,3-thia-zole-4-acetato-κO,N)nickel(II) | Acta crystallographica. Section E, Structure reports online |
21580862 | 20081018 | Bis(ethyl 2-amino-4-thia-zoleacetato-κN)silver(I) nitrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.01499861 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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Oxazole/Thiazole
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