2-aminothiazole-4-carboxylic acid - CAS 40283-41-8
Catalog: |
BB024424 |
Product Name: |
2-aminothiazole-4-carboxylic acid |
CAS: |
40283-41-8 |
Synonyms: |
2-amino-4-thiazolecarboxylic acid; 2-amino-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-amino-1,3-thiazole-4-carboxylic acid |
Description: | 2-aminothiazole-4-carboxylic acid (CAS# 40283-41-8) is a reagent in the preparation of glycogen phosphorylase inhibitory active compounds in the treatment of diabetes. Acotiamide impurity. |
Molecular Weight: | 144.15 |
Molecular Formula: | C4H4N2O2S |
Canonical SMILES: | C1=C(N=C(S1)N)C(=O)O |
InChI: | InChI=1S/C4H4N2O2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8) |
InChI Key: | FCLDUALXSYSMFB-UHFFFAOYSA-N |
Boiling Point: | 414.962 ℃ at 760 mmHg |
Melting Point: | 171-181ºC(lit.) |
Purity: | 97 % |
Density: | 1.658 g/cm3 |
MDL: | MFCD00859429 |
LogP: | 1.00470 |
GHS Hazard Statement: | H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021108023-A1 | Penicillin-binding protein inhibitors | 20191126 |
CN-109988121-A | A kind of preparation method of Acotiamide derivative | 20190428 |
CN-107556265-A | A kind of simple preparation method of Acotiamide | 20171026 |
US-2019276462-A1 | [1,2,4]triazolo[1,5‐a]pyrimidine compounds as pde2 inhibitors | 20161102 |
EP-3535267-B1 | [1,2,4]triazolo[1,5-a]pyrimidine derivatives as pde2 inhibitors | 20161102 |
PMID | Publication Date | Title | Journal |
19440303 | 20090101 | Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH | PloS one |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.99934855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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