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

C14H17N3O2S2 — CID 860214

IUPAC1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C14H17N3O2S2/c1-10-4-6-17(7-5-10)12(18)9-21-14-16-15-13(19-14)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyZZVJYIQAVNTUFB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.15
Rot. Bonds4

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

1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 860214) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID860214
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C14H17N3O2S2/c1-10-4-6-17(7-5-10)12(18)9-21-14-16-15-13(19-14)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyZZVJYIQAVNTUFB-UHFFFAOYSA-N
XLogP3.15
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 860214) is 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is ZZVJYIQAVNTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-10-4-6-17(7-5-10)12(18)9-21-14-16-15-13(19-14)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 860214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).