2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

C27H26N4O2S — CID 58431687

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1
InChIInChI=1S/C27H26N4O2S/c1-19-25(34-26(30-19)21-6-5-13-28-18-21)23(32)16-20-9-10-24(29-17-20)31-14-11-27(33,12-15-31)22-7-3-2-4-8-22/h2-10,13,17-18,33H,11-12,14-16H2,1H3
InChIKeyGKLYGFUCJCUFRA-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.82
Rot. Bonds6

About 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 58431687) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
PubChem CID58431687
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1
InChIInChI=1S/C27H26N4O2S/c1-19-25(34-26(30-19)21-6-5-13-28-18-21)23(32)16-20-9-10-24(29-17-20)31-14-11-27(33,12-15-31)22-7-3-2-4-8-22/h2-10,13,17-18,33H,11-12,14-16H2,1H3
InChIKeyGKLYGFUCJCUFRA-UHFFFAOYSA-N
XLogP4.82
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.82
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-Phenylpiperazin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58428982
2-[6-(4-Phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58429168
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
4-[2-[Methyl-[5-[6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]amino]propan-2-yl]benzoic acid
CID 58706473
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526048
N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 67391202
N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridin-3-yl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 68245705
5-[6-(Ethylcarbamoylamino)-4-[4-(2-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
CID 68640827
4-[[5-[6-[[4-(Fluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]benzoic acid
CID 71159237
[4-[(2,3-Difluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(2-methyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)methanone
CID 89491756
[4-[(4-Fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(2-methyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)methanone
CID 89491807

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone (CID 58431687) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2cccnc2)sc1C(=O)Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is GKLYGFUCJCUFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-19-25(34-26(30-19)21-6-5-13-28-18-21)23(32)16-20-9-10-24(29-17-20)31-14-11-27(33,12-15-31)22-7-3-2-4-8-22/h2-10,13,17-18,33H,11-12,14-16H2,1H3.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 470.60 g/mol, XLogP of 4.82, 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-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 58431687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).