| CAS Number | 1537826-48-4 |
| Catalog Number | AG01F7K4(AGN-PC-3H4983) |
| Chemical Name | Ethyl 2-(2-(3-methylpyridin-2-yl)thiazol-4-yl)acetate |
| IUPAC Name | ethyl 2-[2-(3-methylpyridin-2-yl)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C13H14N2O2S/c1-3-17-11(16)7-10-8-18-13(15-10)12-9(2)5-4-6-14-12/h4-6,8H,3,7H2,1-2H3 |
| InChI Key | NJYMFGSULCSULB-UHFFFAOYSA-N |
| MDL Number | MFCD20265348 |
| Molecular Formula | C13H14N2O2S |
| Molecular Weight | 262.3275 |
| SMILES | CCOC(=O)Cc1csc(n1)c1ncccc1C |
| Synonyms | 1537826-48-4,
Ethyl 2-(3-methyl-2-pyridyl)thiazole-4-acetate,
Ethyl 2-(2-(3-methylpyridin-2-yl)thiazol-4-yl)acetate,
Ethyl 2-[2-(3-methyl-2-pyridyl)-1,3-thiazol-4-yl]acetate,
MFCD20265348,
ZINC90750042,
AKOS017581196,
2-(3-Methyl-2-pyridyl)thiazole-4-acetic acid ethyl ester,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.327g/mol |
| Monoisotopic Mass | 262.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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