Ethyl 4-Hydroxy-2-methylthiazole-5-carboxylate - CAS 20737-48-8
Catalog: |
BB016244 |
Product Name: |
Ethyl 4-Hydroxy-2-methylthiazole-5-carboxylate |
CAS: |
20737-48-8 |
Synonyms: |
4-hydroxy-2-methyl-5-thiazolecarboxylic acid ethyl ester; ethyl 4-hydroxy-2-methyl-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 4-hydroxy-2-methyl-1,3-thiazole-5-carboxylate |
Description: | Ethyl 4-Hydroxy-2-methylthiazole-5-carboxylate (CAS# 20737-48-8) is a useful research chemical. |
Molecular Weight: | 187.22 |
Molecular Formula: | C7H9NO3S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)C)O |
InChI: | InChI=1S/C7H9NO3S/c1-3-11-7(10)5-6(9)8-4(2)12-5/h9H,3H2,1-2H3 |
InChI Key: | XYSFQGYOGXKLQW-UHFFFAOYSA-N |
Boiling Point: | 270.7 °C at 760 mmHg |
Density: | 1.325 g/cm3 |
MDL: | MFCD08275722 |
LogP: | 1.33380 |
Publication Number | Title | Priority Date |
CN-110869363-A | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 20170712 |
EP-3652168-A1 | 5-membered and bicyclic heterocyclic amides as inhibitors of rock | 20170712 |
KR-20200028423-A | 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK | 20170712 |
TW-201908293-A | 5 members of ROCK inhibitor and bicyclic heterocyclic guanamine | 20170712 |
WO-2019014308-A1 | 5-CHAIN AND BICYCLIC HETEROCYCLIC AMIDES AS ROCK INHIBITORS | 20170712 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.03031432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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