| CAS Number | 1301738-68-0 |
| Catalog Number | AG01F9HO(AGN-PC-3H49CH) |
| Chemical Name | 4-Phenyl-2-(pyridin-2-yl)thiazole-5-carboxylic acid |
| IUPAC Name | 4-phenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C15H10N2O2S/c18-15(19)13-12(10-6-2-1-3-7-10)17-14(20-13)11-8-4-5-9-16-11/h1-9H,(H,18,19) |
| InChI Key | AFWYDGNOZTZZDG-UHFFFAOYSA-N |
| MDL Number | MFCD16251584 |
| Molecular Formula | C15H10N2O2S |
| Molecular Weight | 282.3171 |
| SMILES | OC(=O)c1sc(nc1c1ccccc1)c1ccccn1 |
| Synonyms | 4-phenyl-2-(2-pyridyl)thiazole-5-carboxylic acid,
1301738-68-0,
MFCD16251584,
4-Phenyl-2-(pyridin-2-yl)thiazole-5-carboxylic acid,
SCHEMBL16039727,
AFWYDGNOZTZZDG-UHFFFAOYSA-N,
ZINC62490936,
AKOS017347035,
4-Phenyl-2-(2-pyridyl)thiazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 347 |
| 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 |
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Certificate of Analysis
Lot Number