| CAS Number | 1249151-01-6 |
| Catalog Number | AG01BE79(AGN-PC-0WOU35) |
| Chemical Name | 4-(5-Methyl-1,3-thiazol-2-yl)piperidine |
| IUPAC Name | 5-methyl-2-piperidin-4-yl-1,3-thiazole |
| InChI | InChI=1S/C9H14N2S/c1-7-6-11-9(12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3 |
| InChI Key | QWPOVXNYRVOVQQ-UHFFFAOYSA-N |
| MDL Number | MFCD16834289 |
| Molecular Formula | C9H14N2S |
| Molecular Weight | 182.2859 |
| SMILES | CC1SC(C2CCNCC2)=NC=1 |
| Synonyms | 4-(5-methyl-1,3-thiazol-2-yl)piperidine,
1249151-01-6,
SCHEMBL14314252,
ZINC54158981,
AKOS011944719,
NE31594,
Z1889917077,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.285g/mol |
| Monoisotopic Mass | 182.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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