2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole

C4HBr2N3S — CID 67108296

IUPAC2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1cn2nc(Br)sc2n1
InChIInChI=1S/C4HBr2N3S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H
InChIKeyXETVPABUSOYGTB-UHFFFAOYSA-N
MW282.95 g/mol
LogP2.32
Rot. Bonds

About 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole

2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 67108296) has the molecular formula C4HBr2N3S and a molecular weight of 282.95 g/mol. Its IUPAC name is 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID67108296
Molecular FormulaC4HBr2N3S
Molecular Weight282.95 g/mol
Exact Mass280.83
IUPAC Name2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1cn2nc(Br)sc2n1
InChIInChI=1S/C4HBr2N3S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H
InChIKeyXETVPABUSOYGTB-UHFFFAOYSA-N
XLogP2.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole (CID 67108296) is 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole is Brc1cn2nc(Br)sc2n1.
What is the InChIKey of 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XETVPABUSOYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr2N3S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H.
What are the key properties of 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole?
2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 282.95 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 67108296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).