2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

C26H24N4O2S — CID 58431641

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C26H24N4O2S/c31-23(22-18-33-25(29-22)20-5-4-12-27-17-20)15-19-8-9-24(28-16-19)30-13-10-26(32,11-14-30)21-6-2-1-3-7-21/h1-9,12,16-18,32H,10-11,13-15H2
InChIKeyAEPGIXCRIQVLBX-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.51
Rot. Bonds6

About 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 58431641) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID58431641
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C26H24N4O2S/c31-23(22-18-33-25(29-22)20-5-4-12-27-17-20)15-19-8-9-24(28-16-19)30-13-10-26(32,11-14-30)21-6-2-1-3-7-21/h1-9,12,16-18,32H,10-11,13-15H2
InChIKeyAEPGIXCRIQVLBX-UHFFFAOYSA-N
XLogP4.51
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46202974
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58429209
N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 68245791
4-[[[4-[6-[(4-Cyclohexylphenyl)methyl-methylamino]-3-pyridinyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 23023872
N-(2-hydroxy-2,2-diphenylethyl)-4-(2-(pyridine-2-ylamino)thiazol-5-ylthio)picolinamide
CID 24958489
N-(2-hydroxy-2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24958490
4-[2-[5-[6-[(4-Methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 44177154
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 58431610
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 58431611
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-5-yl)ethanone
CID 58431621
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-phenylthiophen-2-yl)ethanone
CID 58431652
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 58431655

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (CID 58431641) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2cccnc2)n1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is AEPGIXCRIQVLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-23(22-18-33-25(29-22)20-5-4-12-27-17-20)15-19-8-9-24(28-16-19)30-13-10-26(32,11-14-30)21-6-2-1-3-7-21/h1-9,12,16-18,32H,10-11,13-15H2.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 456.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 58431641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).