4-piperazin-2-ylthiadiazole

C6H10N4S — CID 91600271

IUPAC4-piperazin-2-ylthiadiazole
SMILESc1snnc1C1CNCCN1
InChIInChI=1S/C6H10N4S/c1-2-8-5(3-7-1)6-4-11-10-9-6/h4-5,7-8H,1-3H2
InChIKeyJLDPMWSVSSDKSS-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.23
Rot. Bonds1

About 4-piperazin-2-ylthiadiazole

4-piperazin-2-ylthiadiazole (PubChem CID 91600271) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 4-piperazin-2-ylthiadiazole.

Molecular Properties

Compound Name4-piperazin-2-ylthiadiazole
PubChem CID91600271
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name4-piperazin-2-ylthiadiazole
SMILESc1snnc1C1CNCCN1
InChIInChI=1S/C6H10N4S/c1-2-8-5(3-7-1)6-4-11-10-9-6/h4-5,7-8H,1-3H2
InChIKeyJLDPMWSVSSDKSS-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 4-piperazin-2-ylthiadiazole?
The IUPAC name of 4-piperazin-2-ylthiadiazole (CID 91600271) is 4-piperazin-2-ylthiadiazole.
What is the SMILES notation for 4-piperazin-2-ylthiadiazole?
The canonical SMILES for 4-piperazin-2-ylthiadiazole is c1snnc1C1CNCCN1.
What is the InChIKey of 4-piperazin-2-ylthiadiazole?
The InChIKey is JLDPMWSVSSDKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-8-5(3-7-1)6-4-11-10-9-6/h4-5,7-8H,1-3H2.
What are the key properties of 4-piperazin-2-ylthiadiazole?
4-piperazin-2-ylthiadiazole 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 4-piperazin-2-ylthiadiazole is sourced from PubChem (CID 91600271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).