1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C15H19N3O2S2 — CID 2999658

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O2S2/c1-10-5-3-6-11(2)18(10)13(19)9-22-15-17-16-14(20-15)12-7-4-8-21-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyPUVWXIQSGPAYJL-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.68
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 2999658) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID2999658
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O2S2/c1-10-5-3-6-11(2)18(10)13(19)9-22-15-17-16-14(20-15)12-7-4-8-21-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyPUVWXIQSGPAYJL-UHFFFAOYSA-N
XLogP3.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 860214
1-Piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 865286
N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2540332
1-(2-Methyl-piperidin-1-yl)-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 3186470
2-Ethyl-1-{[(5-thien-2-yl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 3236735
2-[[5-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3239213
2-[[5-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4286137
N-[2-(diethylamino)ethyl]-N-methyl-3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16187500
N-Methyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 859898
Ethyl 4-(2-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetyl)piperazine-1-carboxylate
CID 2155761
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3900180
2-Ethylsulfanyl-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 646055

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 2999658) is 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is PUVWXIQSGPAYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10-5-3-6-11(2)18(10)13(19)9-22-15-17-16-14(20-15)12-7-4-8-21-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 337.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 2999658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).