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

C9H15N3OS — CID 65273341

IUPAC3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCC2CCCCN2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-9(14-12-7)13-6-8-4-2-3-5-10-8/h8,10H,2-6H2,1H3
InChIKeyIHELJBFHDSOJHF-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.37
Rot. Bonds3

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

3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole (PubChem CID 65273341) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole
PubChem CID65273341
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCC2CCCCN2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-9(14-12-7)13-6-8-4-2-3-5-10-8/h8,10H,2-6H2,1H3
InChIKeyIHELJBFHDSOJHF-UHFFFAOYSA-N
XLogP1.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole (CID 65273341) is 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole is Cc1nsc(OCC2CCCCN2)n1.
What is the InChIKey of 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole?
The InChIKey is IHELJBFHDSOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-9(14-12-7)13-6-8-4-2-3-5-10-8/h8,10H,2-6H2,1H3.
What are the key properties of 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole?
3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65273341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).