3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine

C14H24N4OS — CID 126822866

IUPAC3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C14H24N4OS/c1-2-13-16-14(20-17-13)15-11-3-7-18(8-4-11)12-5-9-19-10-6-12/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyALSODBJZOVKCSW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.16
Rot. Bonds4

About 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 126822866) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID126822866
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C14H24N4OS/c1-2-13-16-14(20-17-13)15-11-3-7-18(8-4-11)12-5-9-19-10-6-12/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyALSODBJZOVKCSW-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (CID 126822866) is 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCN(C3CCOCC3)CC2)n1.
What is the InChIKey of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ALSODBJZOVKCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-13-16-14(20-17-13)15-11-3-7-18(8-4-11)12-5-9-19-10-6-12/h11-12H,2-10H2,1H3,(H,15,16,17).
What are the key properties of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 296.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126822866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).