| CAS Number | 147003-46-1 |
| Catalog Number | AG019D8K(AGN-PC-022ZJS) |
| Chemical Name | Methyl 2-(2-amino-4-phenylthiazol-5-yl)acetate |
| IUPAC Name | methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate |
| InChI | InChI=1S/C12H12N2O2S/c1-16-10(15)7-9-11(14-12(13)17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14) |
| InChI Key | UEALQOSQARFHSD-UHFFFAOYSA-N |
| MDL Number | MFCD08446717 |
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.3009 |
| SMILES | COC(CC1=C(C2=CC=CC=C2)N=C(N)S1)=O |
| Synonyms | methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate,
147003-46-1,
Methyl 2-(2-amino-4-phenylthiazol-5-yl)acetate,
Methyl-2-(2-amino-4-phenylthiazol-5-yl)acetate,
SCHEMBL330441,
AC1Q440B,
CTK6J2050,
UEALQOSQARFHSD-UHFFFAOYSA-N,
ZINC38342202,
AKOS005254724,
MCULE-1505997236,
NE18111,
EN300-53565,
amino-4-phenylthiazole-5-acetic acid methyl ester,
2-amino-4-phenylthiazole-5-acetic acid methyl ester,
Z812516864,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.3g/mol |
| Monoisotopic Mass | 248.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number