| CAS Number | 1347815-46-6 |
| Catalog Number | AG01F9T5(AGN-PC-3H49DD) |
| Chemical Name | 4-(4-Biphenylyl)-2-(3-methyl-2-pyridyl)thiazole |
| IUPAC Name | 2-(3-methylpyridin-2-yl)-4-(4-phenylphenyl)-1,3-thiazole |
| InChI | InChI=1S/C21H16N2S/c1-15-6-5-13-22-20(15)21-23-19(14-24-21)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-14H,1H3 |
| InChI Key | GFTGEJFLEXCZLL-UHFFFAOYSA-N |
| MDL Number | MFCD20265250 |
| Molecular Formula | C21H16N2S |
| Molecular Weight | 328.4301 |
| SMILES | Cc1cccnc1c1scc(n1)c1ccc(cc1)c1ccccc1 |
| Synonyms | 4-(4-Biphenylyl)-2-(3-methyl-2-pyridyl)thiazole,
1347815-46-6,
MFCD20265250,
ZINC72284463,
AKOS027440121,
4-(4-Biphenyl)-2-(3-methyl-2-pyridyl)thiazole, AldrichCPR,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.433g/mol |
| Monoisotopic Mass | 328.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
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