| CAS Number | 6506-30-5 |
| Catalog Number | AG00JK75(AGN-PC-05NIUF) |
| Chemical Name | Methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3,(H2,9,10) |
| InChI Key | PXALLAPTWSEEKF-UHFFFAOYSA-N |
| MDL Number | MFCD12545931 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | COC(CC1=C(C(OC)=O)SC(N)=N1)=O |
| Synonyms | 6506-30-5,
methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate,
methyl 2-amino-5-methoxycarbonylthiazole-4-acetate,
SCHEMBL741937,
BBL032235,
STL157431,
ZINC25336347,
AKOS005757412,
MCULE-7787105754,
AJ-81981,
DA-41788,
FT-0738306,
methyl 2-amino-4-(2-methoxy-2-oxoethyl)thiazole-5-carboxylate,
C8H10N2O4S,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number