2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C17H20N2OS — CID 95761217

IUPAC2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-5-7-14(8-6-13)12-16(20)19-10-3-2-4-15(19)17-18-9-11-21-17/h5-9,11,15H,2-4,10,12H2,1H3/t15-/m0/s1
InChIKeyOTKJRIJMZJLQSW-HNNXBMFYSA-N
MW300.43 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95761217) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95761217
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-5-7-14(8-6-13)12-16(20)19-10-3-2-4-15(19)17-18-9-11-21-17/h5-9,11,15H,2-4,10,12H2,1H3/t15-/m0/s1
InChIKeyOTKJRIJMZJLQSW-HNNXBMFYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91840506
2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95770097
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761205
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86957499
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95761217) is 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is OTKJRIJMZJLQSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-5-7-14(8-6-13)12-16(20)19-10-3-2-4-15(19)17-18-9-11-21-17/h5-9,11,15H,2-4,10,12H2,1H3/t15-/m0/s1.
What are the key properties of 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 300.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95761217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).