| CAS Number | 1421263-79-7 |
| Catalog Number | AG01F8AI(AGN-PC-3H499K) |
| Chemical Name | 4-(2-Hydroxyphenyl)-5-methyl-2-(2-pyrazinyl)-thiazole |
| IUPAC Name | 2-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)phenol |
| InChI | InChI=1S/C14H11N3OS/c1-9-13(10-4-2-3-5-12(10)18)17-14(19-9)11-8-15-6-7-16-11/h2-8,18H,1H3 |
| InChI Key | KZULLDYWHHCHNZ-UHFFFAOYSA-N |
| MDL Number | MFCD22682936 |
| Molecular Formula | C14H11N3OS |
| Molecular Weight | 269.3216 |
| SMILES | Cc1sc(nc1c1ccccc1O)c1cnccn1 |
| Synonyms | 4-(2-Hydroxyphenyl)-5-methyl-2-(2-pyrazinyl)-thiazole,
1421263-79-7,
4-(2-Hydroxyphenyl)-5-methyl-2-(2-pyrazinyl)thiazole,
MFCD22682936,
ZINC84846940,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.322g/mol |
| Monoisotopic Mass | 269.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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