1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone

C18H22N2O2S — CID 110881980

IUPAC1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCc1ccc(-c2nc(C)sc2CC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C18H22N2O2S/c1-12-5-7-14(8-6-12)18-16(23-13(2)19-18)10-17(22)20-9-3-4-15(21)11-20/h5-8,15,21H,3-4,9-11H2,1-2H3
InChIKeyFJBXBINKAJAVCU-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone

1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 110881980) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID110881980
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCc1ccc(-c2nc(C)sc2CC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C18H22N2O2S/c1-12-5-7-14(8-6-12)18-16(23-13(2)19-18)10-17(22)20-9-3-4-15(21)11-20/h5-8,15,21H,3-4,9-11H2,1-2H3
InChIKeyFJBXBINKAJAVCU-UHFFFAOYSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone;dihydrochloride
CID 119488324
ethyl (3R)-1-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperidine-3-carboxylate
CID 29436154
1-(4-methyl-1,4-diazepan-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 78769683
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
CID 29435932
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)azetidin-1-yl]ethanone
CID 167941047
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127781327
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 55675538
1-(2,3-dihydroindol-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 2095629
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55620640
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46955328
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone (CID 110881980) is 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone is Cc1ccc(-c2nc(C)sc2CC(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is FJBXBINKAJAVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-5-7-14(8-6-12)18-16(23-13(2)19-18)10-17(22)20-9-3-4-15(21)11-20/h5-8,15,21H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone?
1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 110881980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).