5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine

C8H14N4OS — CID 66278144

IUPAC5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCOC1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C8H14N4OS/c1-13-6-2-4-12(5-3-6)8-10-7(9)11-14-8/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyKTVPRNRDWINPLU-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.74
Rot. Bonds2

About 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine

5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66278144) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66278144
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCOC1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C8H14N4OS/c1-13-6-2-4-12(5-3-6)8-10-7(9)11-14-8/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyKTVPRNRDWINPLU-UHFFFAOYSA-N
XLogP0.74
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine (CID 66278144) is 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine is COC1CCN(c2nc(N)ns2)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is KTVPRNRDWINPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-13-6-2-4-12(5-3-6)8-10-7(9)11-14-8/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 214.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66278144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).