5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C23H22ClF4N5OS — CID 11990415

IUPAC5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCN(C)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1
InChIInChI=1S/C23H22ClF4N5OS/c1-32(2)14-6-8-33(9-7-14)20-17(24)10-13(11-29-20)21(34)31-22-30-18(12-35-22)15-4-3-5-16(19(15)25)23(26,27)28/h3-5,10-12,14H,6-9H2,1-2H3,(H,30,31,34)
InChIKeyIMACBQGYXCPZTL-UHFFFAOYSA-N
MW527.98 g/mol
LogP5.80
Rot. Bonds5

About 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 11990415) has the molecular formula C23H22ClF4N5OS and a molecular weight of 527.98 g/mol. Its IUPAC name is 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID11990415
Molecular FormulaC23H22ClF4N5OS
Molecular Weight527.98 g/mol
Exact Mass527.12
IUPAC Name5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCN(C)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1
InChIInChI=1S/C23H22ClF4N5OS/c1-32(2)14-6-8-33(9-7-14)20-17(24)10-13(11-29-20)21(34)31-22-30-18(12-35-22)15-4-3-5-16(19(15)25)23(26,27)28/h3-5,10-12,14H,6-9H2,1-2H3,(H,30,31,34)
InChIKeyIMACBQGYXCPZTL-UHFFFAOYSA-N
XLogP5.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
6'-(3-Ethylureido)-4'-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxamide
CID 59208340
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
N-(4-(4-chloro-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11582671
N-(4-(3-chloro-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11604285
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridin-4-ylamino)benzamide
CID 11612275
(3-Chloro-2-fluorophenyl)(4-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)methanone
CID 11676373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 11990415) is 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is CN(C)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is IMACBQGYXCPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF4N5OS/c1-32(2)14-6-8-33(9-7-14)20-17(24)10-13(11-29-20)21(34)31-22-30-18(12-35-22)15-4-3-5-16(19(15)25)23(26,27)28/h3-5,10-12,14H,6-9H2,1-2H3,(H,30,31,34).
What are the key properties of 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 527.98 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 11990415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).