2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine

C13H24N4OS — CID 82692166

IUPAC2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
SMILESCC(C)(C)c1nsc(N2CCC(OCCN)CC2)n1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)11-15-12(19-16-11)17-7-4-10(5-8-17)18-9-6-14/h10H,4-9,14H2,1-3H3
InChIKeyDOJJKPVCZZWZNL-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine

2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine (PubChem CID 82692166) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
PubChem CID82692166
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine
SMILESCC(C)(C)c1nsc(N2CCC(OCCN)CC2)n1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)11-15-12(19-16-11)17-7-4-10(5-8-17)18-9-6-14/h10H,4-9,14H2,1-3H3
InChIKeyDOJJKPVCZZWZNL-UHFFFAOYSA-N
XLogP1.78
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine (CID 82692166) is 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine is CC(C)(C)c1nsc(N2CCC(OCCN)CC2)n1.
What is the InChIKey of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
The InChIKey is DOJJKPVCZZWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-13(2,3)11-15-12(19-16-11)17-7-4-10(5-8-17)18-9-6-14/h10H,4-9,14H2,1-3H3.
What are the key properties of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine?
2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine has a molecular weight of 284.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82692166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).