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

C15H19N3O2S2 — CID 3236735

IUPAC1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCCC1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O2S2/c1-2-11-6-3-4-8-18(11)13(19)10-22-15-17-16-14(20-15)12-7-5-9-21-12/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyNPNIQWMLBIVYRF-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.68
Rot. Bonds5

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

1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 3236735) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID3236735
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCCC1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O2S2/c1-2-11-6-3-4-8-18(11)13(19)10-22-15-17-16-14(20-15)12-7-5-9-21-12/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyNPNIQWMLBIVYRF-UHFFFAOYSA-N
XLogP3.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 3236735) is 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CCC1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is NPNIQWMLBIVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-2-11-6-3-4-8-18(11)13(19)10-22-15-17-16-14(20-15)12-7-5-9-21-12/h5,7,9,11H,2-4,6,8,10H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2-ethylpiperidin-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, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 3236735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).