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

C23H22ClF4N5O2S — CID 15950081

IUPAC5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCN(C)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC(F)(F)F)c4F)cs3)cc2Cl)CC1
InChIInChI=1S/C23H22ClF4N5O2S/c1-32(2)14-6-8-33(9-7-14)20-16(24)10-13(11-29-20)21(34)31-22-30-17(12-36-22)15-4-3-5-18(19(15)25)35-23(26,27)28/h3-5,10-12,14H,6-9H2,1-2H3,(H,30,31,34)
InChIKeyBZTDAKWLQHXPQM-UHFFFAOYSA-N
MW543.97 g/mol
LogP5.68
Rot. Bonds6

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

5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 15950081) has the molecular formula C23H22ClF4N5O2S and a molecular weight of 543.97 g/mol. Its IUPAC name is 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID15950081
Molecular FormulaC23H22ClF4N5O2S
Molecular Weight543.97 g/mol
Exact Mass543.11
IUPAC Name5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCN(C)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC(F)(F)F)c4F)cs3)cc2Cl)CC1
InChIInChI=1S/C23H22ClF4N5O2S/c1-32(2)14-6-8-33(9-7-14)20-16(24)10-13(11-29-20)21(34)31-22-30-17(12-36-22)15-4-3-5-18(19(15)25)35-23(26,27)28/h3-5,10-12,14H,6-9H2,1-2H3,(H,30,31,34)
InChIKeyBZTDAKWLQHXPQM-UHFFFAOYSA-N
XLogP5.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.97
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 15950081) is 5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)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-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is CN(C)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC(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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is BZTDAKWLQHXPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF4N5O2S/c1-32(2)14-6-8-33(9-7-14)20-16(24)10-13(11-29-20)21(34)31-22-30-17(12-36-22)15-4-3-5-18(19(15)25)35-23(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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-chloro-6-[4-(dimethylamino)piperidin-1-yl]-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 543.97 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15950081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).