3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole

C11H18N4OS — CID 120958493

IUPAC3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2CCCS2)n1
InChIInChI=1S/C11H18N4OS/c1-15-5-4-12-7-8(15)10-13-11(16-14-10)9-3-2-6-17-9/h8-9,12H,2-7H2,1H3
InChIKeyAHKAIRZFSLCVKY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.21
Rot. Bonds2

About 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole (PubChem CID 120958493) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
PubChem CID120958493
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2CCCS2)n1
InChIInChI=1S/C11H18N4OS/c1-15-5-4-12-7-8(15)10-13-11(16-14-10)9-3-2-6-17-9/h8-9,12H,2-7H2,1H3
InChIKeyAHKAIRZFSLCVKY-UHFFFAOYSA-N
XLogP1.21
TPSA54.19 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole (CID 120958493) is 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(C2CCCS2)n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is AHKAIRZFSLCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15-5-4-12-7-8(15)10-13-11(16-14-10)9-3-2-6-17-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 254.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).