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

C14H17N3O2S2 — CID 3186471

IUPAC1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCCN(C(=O)CSc2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C14H17N3O2S2/c1-10-4-2-6-17(8-10)12(18)9-21-14-16-15-13(19-14)11-5-3-7-20-11/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyGVVWPBIKNZGIPY-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.15
Rot. Bonds4

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

1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 3186471) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID3186471
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCCN(C(=O)CSc2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C14H17N3O2S2/c1-10-4-2-6-17(8-10)12(18)9-21-14-16-15-13(19-14)11-5-3-7-20-11/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyGVVWPBIKNZGIPY-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-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 3186471) is 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CCCN(C(=O)CSc2nnc(-c3cccs3)o2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is GVVWPBIKNZGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-10-4-2-6-17(8-10)12(18)9-21-14-16-15-13(19-14)11-5-3-7-20-11/h3,5,7,10H,2,4,6,8-9H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(3-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-(3-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 3186471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).