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

C27H24ClN3O2S — CID 58431694

IUPAC1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C27H24ClN3O2S/c28-22-9-7-20(8-10-22)26-30-23(18-34-26)24(32)16-19-6-11-25(29-17-19)31-14-12-27(33,13-15-31)21-4-2-1-3-5-21/h1-11,17-18,33H,12-16H2
InChIKeyMJQGSQPVTHMMHW-UHFFFAOYSA-N
MW490.03 g/mol
LogP5.77
Rot. Bonds6

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

1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 58431694) has the molecular formula C27H24ClN3O2S and a molecular weight of 490.03 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID58431694
Molecular FormulaC27H24ClN3O2S
Molecular Weight490.03 g/mol
Exact Mass489.13
IUPAC Name1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C27H24ClN3O2S/c28-22-9-7-20(8-10-22)26-30-23(18-34-26)24(32)16-19-6-11-25(29-17-19)31-14-12-27(33,13-15-31)21-4-2-1-3-5-21/h1-11,17-18,33H,12-16H2
InChIKeyMJQGSQPVTHMMHW-UHFFFAOYSA-N
XLogP5.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.03
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[[4-[5-Chloro-6-[(4-cyclohexylphenyl)methyl-methylamino]-3-pyridinyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 23023902
(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]butan-1-one
CID 57889269
(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]butan-1-one
CID 57889600
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-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 58431641
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
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
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 58431689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone (CID 58431694) is 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone is O=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is MJQGSQPVTHMMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2S/c28-22-9-7-20(8-10-22)26-30-23(18-34-26)24(32)16-19-6-11-25(29-17-19)31-14-12-27(33,13-15-31)21-4-2-1-3-5-21/h1-11,17-18,33H,12-16H2.
What are the key properties of 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 490.03 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58431694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).