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

C11H17N3OS — CID 65275321

IUPAC3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole
SMILESC1CC(COc2nc(C3CC3)ns2)CCN1
InChIInChI=1S/C11H17N3OS/c1-2-9(1)10-13-11(16-14-10)15-7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
InChIKeyFMGDJSXRFKNHKI-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.79
Rot. Bonds4

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

3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole (PubChem CID 65275321) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole
PubChem CID65275321
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole
SMILESC1CC(COc2nc(C3CC3)ns2)CCN1
InChIInChI=1S/C11H17N3OS/c1-2-9(1)10-13-11(16-14-10)15-7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
InChIKeyFMGDJSXRFKNHKI-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.79
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-ylmethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole (CID 65275321) is 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole is C1CC(COc2nc(C3CC3)ns2)CCN1.
What is the InChIKey of 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole?
The InChIKey is FMGDJSXRFKNHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-9(1)10-13-11(16-14-10)15-7-8-3-5-12-6-4-8/h8-9,12H,1-7H2.
What are the key properties of 3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole?
3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole has a molecular weight of 239.34 g/mol, XLogP of 1.79, 4 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-ylmethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65275321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).