| CAS Number | 1506428-22-3 |
| Catalog Number | AG01F7K1(AGN-PC-3H497E) |
| Chemical Name | 4-Phenyl-2-(pyrazin-2-yl)thiazole-5-carboxylic acid |
| IUPAC Name | 4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C14H9N3O2S/c18-14(19)12-11(9-4-2-1-3-5-9)17-13(20-12)10-8-15-6-7-16-10/h1-8H,(H,18,19) |
| InChI Key | ZCNOYYRPSQWYSP-UHFFFAOYSA-N |
| MDL Number | MFCD20265306 |
| Molecular Formula | C14H9N3O2S |
| Molecular Weight | 283.3052 |
| SMILES | OC(=O)c1sc(nc1c1ccccc1)c1cnccn1 |
| Synonyms | 1506428-22-3,
MFCD20265306,
4-Phenyl-2-(pyrazin-2-yl)-1,3-thiazole-5-carboxylic acid,
4-Phenyl-2-(2-pyrazinyl)thiazole-5-carboxylic acid,
4-Phenyl-2-(pyrazin-2-yl)thiazole-5-carboxylic acid,
ZINC90750038,
AKOS017581192,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.305g/mol |
| Monoisotopic Mass | 283.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number