5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole

C10H17N3OS — CID 65274753

IUPAC5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OC2CCNCC2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)14-8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKeyZMZXWLMCYLVNQX-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.79
Rot. Bonds3

About 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole

5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 65274753) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID65274753
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OC2CCNCC2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)14-8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKeyZMZXWLMCYLVNQX-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole (CID 65274753) is 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(OC2CCNCC2)n1.
What is the InChIKey of 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is ZMZXWLMCYLVNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)14-8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole?
5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 65274753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).