| CAS Number | 1087784-51-7 |
| Catalog Number | AG019MZ4 |
| Chemical Name | 4-methyl-2-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2S/c1-7-10(11(14)15)16-9(13-7)6-8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,14,15) |
| InChI Key | ZUYWDWYKNJLVOJ-UHFFFAOYSA-N |
| MDL Number | MFCD11099601 |
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.2743 |
| SMILES | CC1=C(C(O)=O)SC(CC2=NC=CC=C2)=N1 |
| Synonyms | 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid,
1087784-51-7,
AC1Q2GG4,
SCHEMBL18114176,
CTK7J1369,
ZINC32627378,
AKOS009321486,
MCULE-7392086184,
NE26824,
EN300-38988,
Z394693514,
4-methyl-2-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxylic acid,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.273g/mol |
| Monoisotopic Mass | 234.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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