| CAS Number | 1332873-11-6 |
| Catalog Number | AG01C3YR |
| Chemical Name | Methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate hydrochloride |
| IUPAC Name | methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H10N2O2S.ClH/c1-4(8)6-9-3-5(12-6)7(10)11-2;/h3-4H,8H2,1-2H3;1H |
| InChI Key | VEZPJLVSMYOEBW-UHFFFAOYSA-N |
| MDL Number | MFCD29762937 |
| Molecular Formula | C7H11ClN2O2S |
| Molecular Weight | 222.6924 |
| SMILES | Cl.COC(C1SC(C(N)C)=NC=1)=O |
| Synonyms | 1332873-11-6,
methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate hydrochloride,
SCHEMBL2405929,
Z2379087821,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.687g/mol |
| Monoisotopic Mass | 222.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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