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

C7H10ClN3S — CID 65267142

IUPAC5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole
SMILESClc1nc(N2CCCCC2)ns1
InChIInChI=1S/C7H10ClN3S/c8-6-9-7(10-12-6)11-4-2-1-3-5-11/h1-5H2
InChIKeyLQXVESBGROUTIH-UHFFFAOYSA-N
MW203.70 g/mol
LogP2.18
Rot. Bonds1

About 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole

5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole (PubChem CID 65267142) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole
PubChem CID65267142
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole
SMILESClc1nc(N2CCCCC2)ns1
InChIInChI=1S/C7H10ClN3S/c8-6-9-7(10-12-6)11-4-2-1-3-5-11/h1-5H2
InChIKeyLQXVESBGROUTIH-UHFFFAOYSA-N
XLogP2.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-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 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole (CID 65267142) is 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole is Clc1nc(N2CCCCC2)ns1.
What is the InChIKey of 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole?
The InChIKey is LQXVESBGROUTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c8-6-9-7(10-12-6)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole?
5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole has a molecular weight of 203.70 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-piperidin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 65267142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).