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

C13H15N3O2S2 — CID 865286

IUPAC1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1
InChIInChI=1S/C13H15N3O2S2/c17-11(16-6-2-1-3-7-16)9-20-13-15-14-12(18-13)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2
InChIKeyNKXFAOSUPLKINK-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.90
Rot. Bonds4

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

1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 865286) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID865286
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1
InChIInChI=1S/C13H15N3O2S2/c17-11(16-6-2-1-3-7-16)9-20-13-15-14-12(18-13)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2
InChIKeyNKXFAOSUPLKINK-UHFFFAOYSA-N
XLogP2.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 865286) is 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is NKXFAOSUPLKINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c17-11(16-6-2-1-3-7-16)9-20-13-15-14-12(18-13)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 309.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 865286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).