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

C13H23N3OS — CID 65274701

IUPAC3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-15-12(18-16-11)17-9-7-10-6-4-5-8-14-10/h10,14H,4-9H2,1-3H3
InChIKeyGOOHAYHZWHZBNG-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.75
Rot. Bonds4

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

3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (PubChem CID 65274701) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
PubChem CID65274701
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-15-12(18-16-11)17-9-7-10-6-4-5-8-14-10/h10,14H,4-9H2,1-3H3
InChIKeyGOOHAYHZWHZBNG-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole (CID 65274701) is 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is CC(C)(C)c1nsc(OCCC2CCCCN2)n1.
What is the InChIKey of 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
The InChIKey is GOOHAYHZWHZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)11-15-12(18-16-11)17-9-7-10-6-4-5-8-14-10/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole?
3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole has a molecular weight of 269.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-piperidin-2-ylethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65274701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).