| CAS Number | 364356-34-3 |
| Catalog Number | AG01BVAV(AGN-PC-009J1F) |
| Chemical Name | 2-[methyl(phenyl)amino]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(N-methylanilino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2S/c1-13(8-5-3-2-4-6-8)11-12-9(7-16-11)10(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | PGNOYARCOJMDDM-UHFFFAOYSA-N |
| MDL Number | MFCD11908649 |
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.2743 |
| SMILES | CN(C1=CC=CC=C1)C1SC=C(C(O)=O)N=1 |
| Synonyms | 364356-34-3,
2-(Methyl(phenyl)amino)thiazole-4-carboxylic acid,
2-[methyl(phenyl)amino]-1,3-thiazole-4-carboxylic acid,
SCHEMBL4733657,
ZINC33507817,
AKOS017565831,
2-(Methylphenylamino)thiazole-4-carboxylic acid,
4-Thiazolecarboxylic acid, 2-(methylphenylamino)-,
Z2687203956,
CID11458966,
2-(methyl-phenyl-amino)-1,3-thiazole-4-carboxylic Acid,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.273g/mol |
| Monoisotopic Mass | 234.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number