| CAS Number | 402567-89-9 |
| Catalog Number | AG01F9N8(AGN-PC-0OA06M) |
| Chemical Name | Ethyl 4-phenyl-2-(p-tolyl)thiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C19H17NO2S/c1-3-22-19(21)17-16(14-7-5-4-6-8-14)20-18(23-17)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3 |
| InChI Key | RVAXNWYTSSHOTF-UHFFFAOYSA-N |
| MDL Number | MFCD28166211 |
| Molecular Formula | C19H17NO2S |
| Molecular Weight | 323.4088 |
| SMILES | CCOC(=O)c1sc(nc1c1ccccc1)c1ccc(cc1)C |
| Synonyms | 402567-89-9,
Ethyl 2-(4-tolyl)-4-phenylthiazole-5-carboxylate,
Ethyl 4-phenyl-2-(p-tolyl)thiazole-5-carboxylate,
ZINC196126768,
Ethyl 2-(4-tolyl)thiazole-5-carboxylate, AldrichCPR,
4-Phenyl-2-(4-methylphenyl)thiazole-5-carboxylic acid ethyl ester,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.4g/mol |
| Monoisotopic Mass | 323.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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