| CAS Number | 2137695-98-6 |
| Catalog Number | AG01EI7F |
| Chemical Name | ethyl 2-(aminomethyl)-5-methyl-1,3-thiazole-4-carboxylate dihydrochloride |
| IUPAC Name | ethyl 2-(aminomethyl)-5-methyl-1,3-thiazole-4-carboxylate;dihydrochloride |
| InChI | InChI=1S/C8H12N2O2S.2ClH/c1-3-12-8(11)7-5(2)13-6(4-9)10-7;;/h3-4,9H2,1-2H3;2*1H |
| InChI Key | GIWQSDFCMBHYDA-UHFFFAOYSA-N |
| MDL Number | MFCD31457081 |
| Molecular Formula | C8H14Cl2N2O2S |
| Molecular Weight | 273.1800 |
| SMILES | Cl.Cl.CCOC(C1=C(C)SC(CN)=N1)=O |
| Synonyms | AKOS034086516,
ethyl 2-(aminomethyl)-5-methyl-1,3-thiazole-4-carboxylate dihydrochloride,
2137695-98-6,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.172g/mol |
| Monoisotopic Mass | 272.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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