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

C10H17N3OS — CID 65273400

IUPAC3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCCC2CCCNC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-10(15-13-8)14-6-4-9-3-2-5-11-7-9/h9,11H,2-7H2,1H3
InChIKeyXHYADYNGRDGZRH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds4

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

3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole (PubChem CID 65273400) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole
PubChem CID65273400
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCCC2CCCNC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-10(15-13-8)14-6-4-9-3-2-5-11-7-9/h9,11H,2-7H2,1H3
InChIKeyXHYADYNGRDGZRH-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole (CID 65273400) is 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole is Cc1nsc(OCCC2CCCNC2)n1.
What is the InChIKey of 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole?
The InChIKey is XHYADYNGRDGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-12-10(15-13-8)14-6-4-9-3-2-5-11-7-9/h9,11H,2-7H2,1H3.
What are the key properties of 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole?
3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65273400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).