2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide

C4H3BrN4O2S2 — CID 67336634

IUPAC2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
SMILESNS(=O)(=O)c1cn2nc(Br)sc2n1
InChIInChI=1S/C4H3BrN4O2S2/c5-3-8-9-1-2(13(6,10)11)7-4(9)12-3/h1H,(H2,6,10,11)
InChIKeyKHUBPNNFHGYBOC-UHFFFAOYSA-N
MW283.13 g/mol
LogP0.20
Rot. Bonds1

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

2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide (PubChem CID 67336634) has the molecular formula C4H3BrN4O2S2 and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide.

Molecular Properties

Compound Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
PubChem CID67336634
Molecular FormulaC4H3BrN4O2S2
Molecular Weight283.13 g/mol
Exact Mass281.89
IUPAC Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
SMILESNS(=O)(=O)c1cn2nc(Br)sc2n1
InChIInChI=1S/C4H3BrN4O2S2/c5-3-8-9-1-2(13(6,10)11)7-4(9)12-3/h1H,(H2,6,10,11)
InChIKeyKHUBPNNFHGYBOC-UHFFFAOYSA-N
XLogP0.20
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
The IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide (CID 67336634) is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide.
What is the SMILES notation for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
The canonical SMILES for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide is NS(=O)(=O)c1cn2nc(Br)sc2n1.
What is the InChIKey of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
The InChIKey is KHUBPNNFHGYBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN4O2S2/c5-3-8-9-1-2(13(6,10)11)7-4(9)12-3/h1H,(H2,6,10,11).
What are the key properties of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide has a molecular weight of 283.13 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide is sourced from PubChem (CID 67336634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).