5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole

C8H13BrN4S — CID 102618025

IUPAC5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole
SMILESCN1CCN(C)C(c2nsc(Br)n2)C1
InChIInChI=1S/C8H13BrN4S/c1-12-3-4-13(2)6(5-12)7-10-8(9)14-11-7/h6H,3-5H2,1-2H3
InChIKeyGAZBYPANPSDFBO-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.22
Rot. Bonds1

About 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole

5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole (PubChem CID 102618025) has the molecular formula C8H13BrN4S and a molecular weight of 277.19 g/mol. Its IUPAC name is 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole
PubChem CID102618025
Molecular FormulaC8H13BrN4S
Molecular Weight277.19 g/mol
Exact Mass276.00
IUPAC Name5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole
SMILESCN1CCN(C)C(c2nsc(Br)n2)C1
InChIInChI=1S/C8H13BrN4S/c1-12-3-4-13(2)6(5-12)7-10-8(9)14-11-7/h6H,3-5H2,1-2H3
InChIKeyGAZBYPANPSDFBO-UHFFFAOYSA-N
XLogP1.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-thiadiazole
CID 102617944
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 79659449
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79658870
[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine
CID 79666220
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79799141
3-(1-methylpyrrolidin-2-yl)-1,2,4-thiadiazole-5-carboxylic acid
CID 82394205
[6-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]hydrazine
CID 79667141
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308049
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567
5-bromo-2-(1,4-dimethylpiperazin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481117
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 79659038
1,4-dimethyl-2-(1-methylpyrazol-4-yl)piperazine
CID 177188988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole (CID 102618025) is 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole is CN1CCN(C)C(c2nsc(Br)n2)C1.
What is the InChIKey of 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole?
The InChIKey is GAZBYPANPSDFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4S/c1-12-3-4-13(2)6(5-12)7-10-8(9)14-11-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole?
5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole has a molecular weight of 277.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,4-dimethylpiperazin-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).