| CAS Number | 1225963-57-4 |
| Catalog Number | AG01F9G9(AGN-PC-3H49CF) |
| Chemical Name | 4-Phenyl-2-(pyridin-4-yl)thiazole-5-carboxylic acid |
| IUPAC Name | 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C15H10N2O2S/c18-15(19)13-12(10-4-2-1-3-5-10)17-14(20-13)11-6-8-16-9-7-11/h1-9H,(H,18,19) |
| InChI Key | XIUFXYLUJWNFRF-UHFFFAOYSA-N |
| MDL Number | MFCD16251576 |
| Molecular Formula | C15H10N2O2S |
| Molecular Weight | 282.3171 |
| SMILES | S1C(C(=O)O)=C(C2C=CC=CC=2)N=C1C1C=CN=CC=1 |
| Synonyms | 4-phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid,
1225963-57-4,
CHEMBL3261245,
4-Phenyl-2-(pyridin-4-yl)thiazole-5-carboxylic acid,
SCHEMBL16113884,
BDBM50016135,
MFCD16251576,
ZINC41581432,
AKOS017347040,
4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.317g/mol |
| Monoisotopic Mass | 282.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number