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

C15H18N4O2S — CID 1071911

IUPAC1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C15H18N4O2S/c1-11-4-7-19(8-5-11)13(20)10-22-15-18-17-14(21-15)12-3-2-6-16-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3
InChIKeyHZEZWPMNOWRPCC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.48
Rot. Bonds4

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

1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 1071911) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID1071911
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C15H18N4O2S/c1-11-4-7-19(8-5-11)13(20)10-22-15-18-17-14(21-15)12-3-2-6-16-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3
InChIKeyHZEZWPMNOWRPCC-UHFFFAOYSA-N
XLogP2.48
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.48
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-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 1071911) is 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CCN(C(=O)CSc2nnc(-c3cccnc3)o2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is HZEZWPMNOWRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-4-7-19(8-5-11)13(20)10-22-15-18-17-14(21-15)12-3-2-6-16-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 318.40 g/mol, XLogP of 2.48, 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-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 1071911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).