| CAS Number | 51492-89-8 |
| Catalog Number | AG00I97Q(AGN-PC-0WR1DB) |
| Chemical Name | 4-Phenyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid |
| IUPAC Name | 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C15H10N2O2S/c18-15(19)13-12(10-5-2-1-3-6-10)17-14(20-13)11-7-4-8-16-9-11/h1-9H,(H,18,19) |
| InChI Key | ZVZHNRJKBGFMGC-UHFFFAOYSA-N |
| MDL Number | MFCD16251574 |
| Molecular Formula | C15H10N2O2S |
| Molecular Weight | 282.3171 |
| SMILES | S1C(C(=O)O)=C(C2C=CC=CC=2)N=C1C1=CC=CN=C1 |
| Synonyms | 4-phenyl-2-(3-pyridyl)thiazole-5-carboxylic acid,
51492-89-8,
4-Phenyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid,
MFCD16251574,
ZINC41439067,
AKOS017347036,
4-Phenyl-2-(3-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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number