| CAS Number | 1089704-57-3 |
| Catalog Number | AG008TRX |
| Chemical Name | Ethyl thiazolo[5,4-b]pyridine-2-carboxylate |
| IUPAC Name | ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3 |
| InChI Key | WPHYGZDNIVMAAK-UHFFFAOYSA-N |
| MDL Number | MFCD21193827 |
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.2370 |
| SMILES | N1=C(SC2=NC=CC=C21)C(=O)OCC |
| Synonyms | 1089704-57-3,
Ethyl thiazolo[5,4-b]pyridine-2-carboxylate,
ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate,
SCHEMBL16264455,
ZINC83729308,
AKOS014670665,
NE16721,
2-ethoxycarbonylthiazolo[5,4-b]pyridine,
AJ-126037,
Z1889902537,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.235g/mol |
| Monoisotopic Mass | 208.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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