3-piperazin-2-yl-1,2,4-thiadiazole

C6H10N4S — CID 18787140

IUPAC3-piperazin-2-yl-1,2,4-thiadiazole
SMILESc1nc(C2CNCCN2)ns1
InChIInChI=1S/C6H10N4S/c1-2-8-5(3-7-1)6-9-4-11-10-6/h4-5,7-8H,1-3H2
InChIKeyOBIXVYAFRFLAJP-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.23
Rot. Bonds1

About 3-piperazin-2-yl-1,2,4-thiadiazole

3-piperazin-2-yl-1,2,4-thiadiazole (PubChem CID 18787140) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-piperazin-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-piperazin-2-yl-1,2,4-thiadiazole
PubChem CID18787140
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name3-piperazin-2-yl-1,2,4-thiadiazole
SMILESc1nc(C2CNCCN2)ns1
InChIInChI=1S/C6H10N4S/c1-2-8-5(3-7-1)6-9-4-11-10-6/h4-5,7-8H,1-3H2
InChIKeyOBIXVYAFRFLAJP-UHFFFAOYSA-N
XLogP-0.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-piperazin-2-yl-1,2,4-thiadiazole (CID 18787140) is 3-piperazin-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-piperazin-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-piperazin-2-yl-1,2,4-thiadiazole is c1nc(C2CNCCN2)ns1.
What is the InChIKey of 3-piperazin-2-yl-1,2,4-thiadiazole?
The InChIKey is OBIXVYAFRFLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-8-5(3-7-1)6-9-4-11-10-6/h4-5,7-8H,1-3H2.
What are the key properties of 3-piperazin-2-yl-1,2,4-thiadiazole?
3-piperazin-2-yl-1,2,4-thiadiazole has a molecular weight of 170.24 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 18787140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).