| CAS Number | 1587705-63-2 |
| Catalog Number | AG01ENZT(AGN-PC-3H464P) |
| Chemical Name | INH154 |
| IUPAC Name | N-[4-(2,6-dimethyl-4-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide |
| InChI | InChI=1S/C22H24N4OS/c1-15-12-18(26-10-4-3-5-11-26)13-16(2)20(15)19-14-28-22(24-19)25-21(27)17-6-8-23-9-7-17/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,25,27) |
| InChI Key | BBVORAZSFSZSKG-UHFFFAOYSA-N |
| MDL Number | MFCD31746890 |
| Molecular Formula | C22H24N4OS |
| Molecular Weight | 392.5172 |
| SMILES | C1=NC=CC(C(NC2=NC(C3=C(C)C=C(N4CCCCC4)C=C3C)=CS2)=O)=C1 |
| Synonyms | INH154,
1587705-63-2,
SCHEMBL16632545,
HY-117154,
CS-0064015,
|
| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.521g/mol |
| Monoisotopic Mass | 392.167g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number