5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

C14H17N3OS — CID 566569

IUPAC5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione
SMILESS=c1oc(-c2ccccc2)nn1CN1CCCCC1
InChIInChI=1S/C14H17N3OS/c19-14-17(11-16-9-5-2-6-10-16)15-13(18-14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyGNBHWOZYRCNSBB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.32
Rot. Bonds3

About 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione (PubChem CID 566569) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione
PubChem CID566569
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione
SMILESS=c1oc(-c2ccccc2)nn1CN1CCCCC1
InChIInChI=1S/C14H17N3OS/c19-14-17(11-16-9-5-2-6-10-16)15-13(18-14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyGNBHWOZYRCNSBB-UHFFFAOYSA-N
XLogP3.32
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione (CID 566569) is 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione is S=c1oc(-c2ccccc2)nn1CN1CCCCC1.
What is the InChIKey of 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione?
The InChIKey is GNBHWOZYRCNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c19-14-17(11-16-9-5-2-6-10-16)15-13(18-14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione?
5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione has a molecular weight of 275.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 566569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).