| CAS Number | 1520613-94-8 |
| Catalog Number | AG01BIDV |
| Chemical Name | 2-((4-Methoxyphenyl)amino)thiazole-5-carboxylic acid |
| IUPAC Name | 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3S/c1-16-8-4-2-7(3-5-8)13-11-12-6-9(17-11)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15) |
| InChI Key | WQULWSHIWNZMLK-UHFFFAOYSA-N |
| MDL Number | MFCD24992690 |
| Molecular Formula | C11H10N2O3S |
| Molecular Weight | 250.2737 |
| SMILES | O=C(C1=CN=C(NC2=CC=C(OC)C=C2)S1)O |
| Synonyms | 2-((4-methoxyphenyl)amino)thiazole-5-carboxylic acid,
1520613-94-8,
AKOS019137053,
ZINC156126973,
Z2756354733,
2-[(4-methoxyphenyl)amino]-1,3-thiazole-5-carboxylic acid,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.272g/mol |
| Monoisotopic Mass | 250.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number