2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C22H20F3N3OS — CID 58429130

IUPAC2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C22H20F3N3OS/c23-22(24,25)20-19(30-21(27-20)28-11-5-2-6-12-28)18(29)13-15-9-10-17(26-14-15)16-7-3-1-4-8-16/h1,3-4,7-10,14H,2,5-6,11-13H2
InChIKeyCMVITNUQQPKGKZ-UHFFFAOYSA-N
MW431.48 g/mol
LogP5.64
Rot. Bonds5

About 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 58429130) has the molecular formula C22H20F3N3OS and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID58429130
Molecular FormulaC22H20F3N3OS
Molecular Weight431.48 g/mol
Exact Mass431.13
IUPAC Name2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C22H20F3N3OS/c23-22(24,25)20-19(30-21(27-20)28-11-5-2-6-12-28)18(29)13-15-9-10-17(26-14-15)16-7-3-1-4-8-16/h1,3-4,7-10,14H,2,5-6,11-13H2
InChIKeyCMVITNUQQPKGKZ-UHFFFAOYSA-N
XLogP5.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone with MolForge

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
3,5-difluoro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 8924045
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728
4-fluoro-N-propyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661729

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 58429130) is 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(Cc1ccc(-c2ccccc2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is CMVITNUQQPKGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3OS/c23-22(24,25)20-19(30-21(27-20)28-11-5-2-6-12-28)18(29)13-15-9-10-17(26-14-15)16-7-3-1-4-8-16/h1,3-4,7-10,14H,2,5-6,11-13H2.
What are the key properties of 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 431.48 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58429130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).