2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole

C18H24N2O2S2 — CID 164639378

IUPAC2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole
SMILESCCc1ccc(CS(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1
InChIInChI=1S/C18H24N2O2S2/c1-3-15-6-8-16(9-7-15)13-24(21,22)20-10-4-5-17(11-20)18-19-14(2)12-23-18/h6-9,12,17H,3-5,10-11,13H2,1-2H3/t17-/m0/s1
InChIKeyOZDJBJZZULYRDE-KRWDZBQOSA-N
MW364.54 g/mol
LogP3.72
Rot. Bonds5

About 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole

2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole (PubChem CID 164639378) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole
PubChem CID164639378
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole
SMILESCCc1ccc(CS(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1
InChIInChI=1S/C18H24N2O2S2/c1-3-15-6-8-16(9-7-15)13-24(21,22)20-10-4-5-17(11-20)18-19-14(2)12-23-18/h6-9,12,17H,3-5,10-11,13H2,1-2H3/t17-/m0/s1
InChIKeyOZDJBJZZULYRDE-KRWDZBQOSA-N
XLogP3.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]acetic acid
CID 136533146
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
N-[[2-[(3R)-1-[(2,5-dimethylphenyl)methylsulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 95097211
2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95779150
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
3-(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfonyl]azepane
CID 121146377
2-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]-4-methyl-1,3-thiazole
CID 56510041
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779103
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 94061095
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole (CID 164639378) is 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole is CCc1ccc(CS(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is OZDJBJZZULYRDE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-3-15-6-8-16(9-7-15)13-24(21,22)20-10-4-5-17(11-20)18-19-14(2)12-23-18/h6-9,12,17H,3-5,10-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole?
2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 364.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 164639378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).