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

C10H15N3OS — CID 65274751

IUPAC3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
SMILESC1CC(Oc2nc(C3CC3)ns2)CCN1
InChIInChI=1S/C10H15N3OS/c1-2-7(1)9-12-10(15-13-9)14-8-3-5-11-6-4-8/h7-8,11H,1-6H2
InChIKeyIRGXJYIEODCIOF-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.55
Rot. Bonds3

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

3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole (PubChem CID 65274751) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
PubChem CID65274751
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
SMILESC1CC(Oc2nc(C3CC3)ns2)CCN1
InChIInChI=1S/C10H15N3OS/c1-2-7(1)9-12-10(15-13-9)14-8-3-5-11-6-4-8/h7-8,11H,1-6H2
InChIKeyIRGXJYIEODCIOF-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole (CID 65274751) is 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole is C1CC(Oc2nc(C3CC3)ns2)CCN1.
What is the InChIKey of 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
The InChIKey is IRGXJYIEODCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-7(1)9-12-10(15-13-9)14-8-3-5-11-6-4-8/h7-8,11H,1-6H2.
What are the key properties of 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole?
3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole has a molecular weight of 225.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole is sourced from PubChem (CID 65274751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).