Ethyl 2-(2-Aminothiazol-5-yl)acetate - CAS 62557-32-8
Catalog: |
BB031662 |
Product Name: |
Ethyl 2-(2-Aminothiazol-5-yl)acetate |
CAS: |
62557-32-8 |
Synonyms: |
2-(2-amino-5-thiazolyl)acetic acid ethyl ester; ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate |
IUPAC Name: | ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate |
Description: | Ethyl 2-(2-Aminothiazol-5-yl)acetate (CAS# 62557-32-8) is an intermediate used to synthesize thiazoloquinazoline derivatives as potent selective aurora A and B kinase inhibitors. |
Molecular Weight: | 186.23 |
Molecular Formula: | C7H10N2O2S |
Canonical SMILES: | CCOC(=O)CC1=CN=C(S1)N |
InChI: | InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3,(H2,8,9) |
InChI Key: | JAZQWKNSZPGYPK-UHFFFAOYSA-N |
Boiling Point: | 318.5 °C at 760 mmHg |
Density: | 1.295 g/cm3 |
Solubility: | 27.6 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD01113255 |
LogP: | 1.41210 |
GHS Hazard Statement: | H302 (100%): 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 |
AU-2017342156-A1 | 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors | 20161013 |
EP-3526206-A1 | 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin d synthase inhibitors | 20161013 |
JP-2019536757-A | 1,3-Disubstituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors | 20161013 |
KR-20190072565-A | 1,3-disubstituted cyclobutane or azetidine derivatives as inhibitors of hematopoietic prostaglandin D synthetase | 20161013 |
US-2019241554-A1 | 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin d synthase inhibitors | 20161013 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04629874 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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