3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole

C11H18N4OS — CID 71259253

IUPAC3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESC1CN(c2nc(C3CCOCC3)ns2)CCN1
InChIInChI=1S/C11H18N4OS/c1-7-16-8-2-9(1)10-13-11(17-14-10)15-5-3-12-4-6-15/h9,12H,1-8H2
InChIKeyAIRDIQXEQVDWBY-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.84
Rot. Bonds2

About 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole

3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 71259253) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID71259253
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESC1CN(c2nc(C3CCOCC3)ns2)CCN1
InChIInChI=1S/C11H18N4OS/c1-7-16-8-2-9(1)10-13-11(17-14-10)15-5-3-12-4-6-15/h9,12H,1-8H2
InChIKeyAIRDIQXEQVDWBY-UHFFFAOYSA-N
XLogP0.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole (CID 71259253) is 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole is C1CN(c2nc(C3CCOCC3)ns2)CCN1.
What is the InChIKey of 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is AIRDIQXEQVDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-16-8-2-9(1)10-13-11(17-14-10)15-5-3-12-4-6-15/h9,12H,1-8H2.
What are the key properties of 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole?
3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 254.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 71259253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).