1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone

C20H26N2OS — CID 112772042

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCCc1ccc(-c2nc(CC(=O)N3CC(C)CC(C)C3)cs2)cc1
InChIInChI=1S/C20H26N2OS/c1-4-16-5-7-17(8-6-16)20-21-18(13-24-20)10-19(23)22-11-14(2)9-15(3)12-22/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeySDSYFRJONMYABK-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.42
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 112772042) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID112772042
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCCc1ccc(-c2nc(CC(=O)N3CC(C)CC(C)C3)cs2)cc1
InChIInChI=1S/C20H26N2OS/c1-4-16-5-7-17(8-6-16)20-21-18(13-24-20)10-19(23)22-11-14(2)9-15(3)12-22/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeySDSYFRJONMYABK-UHFFFAOYSA-N
XLogP4.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026613
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080902
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 112817620
1-(4-benzyl-1,4-diazepan-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112803915
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 46514456
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55406381
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837945
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 112772064
2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41059378

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone (CID 112772042) is 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone is CCc1ccc(-c2nc(CC(=O)N3CC(C)CC(C)C3)cs2)cc1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is SDSYFRJONMYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-4-16-5-7-17(8-6-16)20-21-18(13-24-20)10-19(23)22-11-14(2)9-15(3)12-22/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 342.51 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 112772042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).