| CAS Number | 1858251-31-6 |
| Catalog Number | AG01F74Q(AGN-PC-3H496N) |
| Chemical Name | Ethyl 2-(5-amino-2-pyridyl)-4-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(5-aminopyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C12H13N3O2S/c1-3-17-12(16)10-7(2)15-11(18-10)9-5-4-8(13)6-14-9/h4-6H,3,13H2,1-2H3 |
| InChI Key | YZWKTOPVBKJGQA-UHFFFAOYSA-N |
| MDL Number | MFCD20265278 |
| Molecular Formula | C12H13N3O2S |
| Molecular Weight | 263.3155 |
| SMILES | CCOC(=O)c1sc(nc1C)c1ccc(cn1)N |
| Synonyms | Ethyl 2-(5-amino-2-pyridyl)-4-methylthiazole-5-carboxylate,
1858251-31-6,
MFCD20265278,
ZINC98071514,
2-(5-Amino-2-pyridyl)-4-methylthiazole-5-carboxylic acid ethyl ester,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.315g/mol |
| Monoisotopic Mass | 263.073g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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