| CAS Number | 1000339-77-4 |
| Catalog Number | AG01C0Q5(AGN-PC-0WBWQP) |
| Chemical Name | 2-(Piperidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylic acid |
| IUPAC Name | 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H11F3N2O2S/c11-10(12,13)7-6(8(16)17)18-9(14-7)15-4-2-1-3-5-15/h1-5H2,(H,16,17) |
| InChI Key | GETINQADFJCORZ-UHFFFAOYSA-N |
| MDL Number | MFCD09743735 |
| Molecular Formula | C10H11F3N2O2S |
| Molecular Weight | 280.2667 |
| SMILES | OC(C1=C(C(F)(F)F)N=C(N2CCCCC2)S1)=O |
| Synonyms | 2-(PIPERIDIN-1-YL)-4-TRIFLUOROMETHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID,
1000339-77-4,
2-(Piperidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylic acid,
SCHEMBL2145658,
CTK7J1360,
MFCD09743735,
ZINC16159496,
AKOS015854126,
TR-048553,
Z-1824,
2-(piperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid,
2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.265g/mol |
| Monoisotopic Mass | 280.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number