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

C7H10ClN3S — CID 131108839

IUPAC3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole
SMILESClc1nsc(N2CCCCC2)n1
InChIInChI=1S/C7H10ClN3S/c8-6-9-7(12-10-6)11-4-2-1-3-5-11/h1-5H2
InChIKeyAHXNCEULFKVWSB-UHFFFAOYSA-N
MW203.70 g/mol
LogP2.18
Rot. Bonds1

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

3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole (PubChem CID 131108839) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole
PubChem CID131108839
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole
SMILESClc1nsc(N2CCCCC2)n1
InChIInChI=1S/C7H10ClN3S/c8-6-9-7(12-10-6)11-4-2-1-3-5-11/h1-5H2
InChIKeyAHXNCEULFKVWSB-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole (CID 131108839) is 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole is Clc1nsc(N2CCCCC2)n1.
What is the InChIKey of 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole?
The InChIKey is AHXNCEULFKVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c8-6-9-7(12-10-6)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole?
3-chloro-5-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 3-chloro-5-piperidin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 131108839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).