| CAS Number | 1217863-43-8 |
| Catalog Number | AG00HGGU |
| Chemical Name | 5-Methyl-4-phenyl-2-(4-pyridyl)thiazole |
| IUPAC Name | 5-methyl-4-phenyl-2-pyridin-4-yl-1,3-thiazole |
| InChI | InChI=1S/C15H12N2S/c1-11-14(12-5-3-2-4-6-12)17-15(18-11)13-7-9-16-10-8-13/h2-10H,1H3 |
| InChI Key | OVYUDBFTPUKSRA-UHFFFAOYSA-N |
| MDL Number | MFCD16251566 |
| Molecular Formula | C15H12N2S |
| Molecular Weight | 252.3342 |
| SMILES | S1C(C)=C(C2C=CC=CC=2)N=C1C1C=CN=CC=1 |
| Synonyms | 5-methyl-4-phenyl-2-(4-pyridyl)thiazole,
1217863-43-8,
5-Methyl-4-phenyl-2-(pyridin-4-yl)thiazole,
MFCD16251566,
ZINC25204287,
AKOS027440065,
MLS-0472853.0001,
5-Methyl-4-phenyl-2-(4-pyridyl) thiazole, AldrichCPR,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.335g/mol |
| Monoisotopic Mass | 252.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number