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

C12H19N3OS — CID 65274646

IUPAC3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESC1CCC(CCOc2nc(C3CC3)ns2)NC1
InChIInChI=1S/C12H19N3OS/c1-2-7-13-10(3-1)6-8-16-12-14-11(15-17-12)9-4-5-9/h9-10,13H,1-8H2
InChIKeyCGVKQMIKRMBJAM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.33
Rot. Bonds5

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

3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (PubChem CID 65274646) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
PubChem CID65274646
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESC1CCC(CCOc2nc(C3CC3)ns2)NC1
InChIInChI=1S/C12H19N3OS/c1-2-7-13-10(3-1)6-8-16-12-14-11(15-17-12)9-4-5-9/h9-10,13H,1-8H2
InChIKeyCGVKQMIKRMBJAM-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 126954581
5-(2-Piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305905
3-Cyclopropyl-5-piperidin-4-yloxy-1,2,4-thiadiazole
CID 65274751
3-Methyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65273280
3-Methyl-5-(piperidin-2-ylmethoxy)-1,2,4-thiadiazole
CID 65273341
3-Methyl-5-(2-piperidin-3-ylethoxy)-1,2,4-thiadiazole
CID 65273400
3-Ethyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65274591
5-(2-Piperidin-2-ylethoxy)-3-propyl-1,2,4-thiadiazole
CID 65274647
5-(2-Piperidin-2-ylethoxy)-3-propan-2-yl-1,2,4-thiadiazole
CID 65274648
3-Tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
CID 65274701
5-Piperidin-4-yloxy-3-propan-2-yl-1,2,4-thiadiazole
CID 65274753
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 65274810

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (CID 65274646) is 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is C1CCC(CCOc2nc(C3CC3)ns2)NC1.
What is the InChIKey of 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The InChIKey is CGVKQMIKRMBJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-7-13-10(3-1)6-8-16-12-14-11(15-17-12)9-4-5-9/h9-10,13H,1-8H2.
What are the key properties of 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole has a molecular weight of 253.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65274646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).