3-piperidin-1-yl-1,2,4-thiadiazole

C7H11N3S — CID 175948156

IUPAC3-piperidin-1-yl-1,2,4-thiadiazole
SMILESc1nc(N2CCCCC2)ns1
InChIInChI=1S/C7H11N3S/c1-2-4-10(5-3-1)7-8-6-11-9-7/h6H,1-5H2
InChIKeyGDGKRMGCHYWTAZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.53
Rot. Bonds1

About 3-piperidin-1-yl-1,2,4-thiadiazole

3-piperidin-1-yl-1,2,4-thiadiazole (PubChem CID 175948156) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-piperidin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-1,2,4-thiadiazole
PubChem CID175948156
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-piperidin-1-yl-1,2,4-thiadiazole
SMILESc1nc(N2CCCCC2)ns1
InChIInChI=1S/C7H11N3S/c1-2-4-10(5-3-1)7-8-6-11-9-7/h6H,1-5H2
InChIKeyGDGKRMGCHYWTAZ-UHFFFAOYSA-N
XLogP1.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-1-yl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-piperidin-1-yl-1,2,4-thiadiazole (CID 175948156) is 3-piperidin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-piperidin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-piperidin-1-yl-1,2,4-thiadiazole is c1nc(N2CCCCC2)ns1.
What is the InChIKey of 3-piperidin-1-yl-1,2,4-thiadiazole?
The InChIKey is GDGKRMGCHYWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-4-10(5-3-1)7-8-6-11-9-7/h6H,1-5H2.
What are the key properties of 3-piperidin-1-yl-1,2,4-thiadiazole?
3-piperidin-1-yl-1,2,4-thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 175948156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).