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

C12H21N3OS — CID 65274647

IUPAC5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-11-14-12(17-15-11)16-9-7-10-6-3-4-8-13-10/h10,13H,2-9H2,1H3
InChIKeyJQIFKMKLMAMDAZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.40
Rot. Bonds6

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

5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole (PubChem CID 65274647) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole
PubChem CID65274647
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-11-14-12(17-15-11)16-9-7-10-6-3-4-8-13-10/h10,13H,2-9H2,1H3
InChIKeyJQIFKMKLMAMDAZ-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole (CID 65274647) is 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(OCCC2CCCCN2)n1.
What is the InChIKey of 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole?
The InChIKey is JQIFKMKLMAMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-5-11-14-12(17-15-11)16-9-7-10-6-3-4-8-13-10/h10,13H,2-9H2,1H3.
What are the key properties of 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole?
5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole has a molecular weight of 255.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 65274647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).