| CAS Number | 1016880-42-4 |
| Catalog Number | AG01A0FQ(AGN-PC-0WOB0Z) |
| Chemical Name | 1-(1,3-Thiazol-2-yl)piperidin-4-one |
| IUPAC Name | 1-(1,3-thiazol-2-yl)piperidin-4-one |
| InChI | InChI=1S/C8H10N2OS/c11-7-1-4-10(5-2-7)8-9-3-6-12-8/h3,6H,1-2,4-5H2 |
| InChI Key | WUYSQZNFGYMRFP-UHFFFAOYSA-N |
| MDL Number | MFCD09743789 |
| Molecular Formula | C8H10N2OS |
| Molecular Weight | 182.2428 |
| SMILES | O=C1CCN(C2SC=CN=2)CC1 |
| Synonyms | 1-(1,3-thiazol-2-yl)piperidin-4-one,
1016880-42-4,
SCHEMBL17893552,
ZINC19505774,
AKOS000189633,
MCULE-6441940326,
NE14396,
Z86287558,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.241g/mol |
| Monoisotopic Mass | 182.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number