3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole

C8H13N3OS — CID 65273159

IUPAC3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
SMILESCc1nsc(OC2CCNCC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-10-8(13-11-6)12-7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
InChIKeyKJTRWZXPQTVHPM-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.98
Rot. Bonds2

About 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole

3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole (PubChem CID 65273159) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
PubChem CID65273159
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
SMILESCc1nsc(OC2CCNCC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-10-8(13-11-6)12-7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
InChIKeyKJTRWZXPQTVHPM-UHFFFAOYSA-N
XLogP0.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.98
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-4-yloxy-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole (CID 65273159) is 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole is Cc1nsc(OC2CCNCC2)n1.
What is the InChIKey of 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
The InChIKey is KJTRWZXPQTVHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-10-8(13-11-6)12-7-2-4-9-5-3-7/h7,9H,2-5H2,1H3.
What are the key properties of 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole has a molecular weight of 199.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-piperidin-4-yloxy-1,2,4-thiadiazole is sourced from PubChem (CID 65273159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).