N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C22H14F4N4O2S — CID 176858974

IUPACN-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)c(F)s1)c1ccn(Cc2cccc(C(F)(F)F)c2)c(=O)c1
InChIInChI=1S/C22H14F4N4O2S/c23-19-18(16-6-1-2-8-27-16)28-21(33-19)29-20(32)14-7-9-30(17(31)11-14)12-13-4-3-5-15(10-13)22(24,25)26/h1-11H,12H2,(H,28,29,32)
InChIKeyRFBWNDFLJJCZQZ-UHFFFAOYSA-N
MW474.44 g/mol
LogP4.83
Rot. Bonds5

About N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 176858974) has the molecular formula C22H14F4N4O2S and a molecular weight of 474.44 g/mol. Its IUPAC name is N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID176858974
Molecular FormulaC22H14F4N4O2S
Molecular Weight474.44 g/mol
Exact Mass474.08
IUPAC NameN-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)c(F)s1)c1ccn(Cc2cccc(C(F)(F)F)c2)c(=O)c1
InChIInChI=1S/C22H14F4N4O2S/c23-19-18(16-6-1-2-8-27-16)28-21(33-19)29-20(32)14-7-9-30(17(31)11-14)12-13-4-3-5-15(10-13)22(24,25)26/h1-11H,12H2,(H,28,29,32)
InChIKeyRFBWNDFLJJCZQZ-UHFFFAOYSA-N
XLogP4.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 122690848
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859253
1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 23144537
1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176859901
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859571
1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176858663
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859711
N-(3-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697243
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 176858974) is N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccn2)c(F)s1)c1ccn(Cc2cccc(C(F)(F)F)c2)c(=O)c1.
What is the InChIKey of N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is RFBWNDFLJJCZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O2S/c23-19-18(16-6-1-2-8-27-16)28-21(33-19)29-20(32)14-7-9-30(17(31)11-14)12-13-4-3-5-15(10-13)22(24,25)26/h1-11H,12H2,(H,28,29,32).
What are the key properties of N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 176858974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).