3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole

C11H19N3OS — CID 65274591

IUPAC3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESCCc1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C11H19N3OS/c1-2-10-13-11(16-14-10)15-8-6-9-5-3-4-7-12-9/h9,12H,2-8H2,1H3
InChIKeyZPTGVYJTWLVXNC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.01
Rot. Bonds5

About 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole

3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (PubChem CID 65274591) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
PubChem CID65274591
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESCCc1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C11H19N3OS/c1-2-10-13-11(16-14-10)15-8-6-9-5-3-4-7-12-9/h9,12H,2-8H2,1H3
InChIKeyZPTGVYJTWLVXNC-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (CID 65274591) is 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is CCc1nsc(OCCC2CCCCN2)n1.
What is the InChIKey of 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The InChIKey is ZPTGVYJTWLVXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-10-13-11(16-14-10)15-8-6-9-5-3-4-7-12-9/h9,12H,2-8H2,1H3.
What are the key properties of 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole has a molecular weight of 241.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).