| CAS Number | 1408107-25-4 |
| Catalog Number | AG01B52A |
| Chemical Name | ethyl 5-[(4-methylphenyl)amino]-1,3-thiazole-4-carboxylate |
| IUPAC Name | ethyl 5-(4-methylanilino)-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C13H14N2O2S/c1-3-17-13(16)11-12(18-8-14-11)15-10-6-4-9(2)5-7-10/h4-8,15H,3H2,1-2H3 |
| InChI Key | ZJLNRRKLFAVWKM-UHFFFAOYSA-N |
| MDL Number | MFCD20054307 |
| Molecular Formula | C13H14N2O2S |
| Molecular Weight | 262.3275 |
| SMILES | CCOC(C1=C(NC2=CC=C(C)C=C2)SC=N1)=O |
| Synonyms | ethyl 5-[(4-methylphenyl)amino]-1,3-thiazole-4-carboxylate,
1408107-25-4,
ZINC71201787,
AKOS013591231,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.327g/mol |
| Monoisotopic Mass | 262.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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