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

C6H10N4S — CID 18787135

IUPAC3-piperazin-1-yl-1,2,4-thiadiazole
SMILESc1nc(N2CCNCC2)ns1
InChIInChI=1S/C6H10N4S/c1-3-10(4-2-7-1)6-8-5-11-9-6/h5,7H,1-4H2
InChIKeyKZOZMOGGJSXVQN-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.05
Rot. Bonds1

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

3-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 18787135) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID18787135
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name3-piperazin-1-yl-1,2,4-thiadiazole
SMILESc1nc(N2CCNCC2)ns1
InChIInChI=1S/C6H10N4S/c1-3-10(4-2-7-1)6-8-5-11-9-6/h5,7H,1-4H2
InChIKeyKZOZMOGGJSXVQN-UHFFFAOYSA-N
XLogP-0.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
Imidazolidinyl-sym-triazine
CID 129792963
Iminoimidazolidinyl-sym-triazine
CID 129792995
N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107493998
N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494203
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303031
3-(4-Ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57162806
3-(4-Propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57268698
N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 65268913
1-(3-Methoxy-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68530741
1-[3-(Methylsulfanyl)-1,2,4-thiadiazol-5-yl]piperazine
CID 68533754

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-piperazin-1-yl-1,2,4-thiadiazole (CID 18787135) is 3-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-piperazin-1-yl-1,2,4-thiadiazole is c1nc(N2CCNCC2)ns1.
What is the InChIKey of 3-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is KZOZMOGGJSXVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-3-10(4-2-7-1)6-8-5-11-9-6/h5,7H,1-4H2.
What are the key properties of 3-piperazin-1-yl-1,2,4-thiadiazole?
3-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 170.24 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 18787135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).