5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole

C13H19N3OS — CID 58792116

IUPAC5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
SMILESCCC#CCOc1nsc(N2CCC(C)CC2)n1
InChIInChI=1S/C13H19N3OS/c1-3-4-5-10-17-12-14-13(18-15-12)16-8-6-11(2)7-9-16/h11H,3,6-10H2,1-2H3
InChIKeyZNWGXOMWMZPAAU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.57
Rot. Bonds3

About 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole

5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole (PubChem CID 58792116) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
PubChem CID58792116
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
SMILESCCC#CCOc1nsc(N2CCC(C)CC2)n1
InChIInChI=1S/C13H19N3OS/c1-3-4-5-10-17-12-14-13(18-15-12)16-8-6-11(2)7-9-16/h11H,3,6-10H2,1-2H3
InChIKeyZNWGXOMWMZPAAU-UHFFFAOYSA-N
XLogP2.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole (CID 58792116) is 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole is CCC#CCOc1nsc(N2CCC(C)CC2)n1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
The InChIKey is ZNWGXOMWMZPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-4-5-10-17-12-14-13(18-15-12)16-8-6-11(2)7-9-16/h11H,3,6-10H2,1-2H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole?
5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole has a molecular weight of 265.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole is sourced from PubChem (CID 58792116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).