5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide

C9H7Br2N5O2S2 — CID 21110222

IUPAC5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide
SMILESBr.NS(=O)(=O)c1nn2c(Br)c(-c3ccccn3)nc2s1
InChIInChI=1S/C9H6BrN5O2S2.BrH/c10-7-6(5-3-1-2-4-12-5)13-8-15(7)14-9(18-8)19(11,16)17;/h1-4H,(H2,11,16,17);1H
InChIKeyXJPVDDWOVXTWPP-UHFFFAOYSA-N
MW441.13 g/mol
LogP1.84
Rot. Bonds2

About 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide

5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide (PubChem CID 21110222) has the molecular formula C9H7Br2N5O2S2 and a molecular weight of 441.13 g/mol. Its IUPAC name is 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide.

Molecular Properties

Compound Name5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide
PubChem CID21110222
Molecular FormulaC9H7Br2N5O2S2
Molecular Weight441.13 g/mol
Exact Mass438.84
IUPAC Name5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide
SMILESBr.NS(=O)(=O)c1nn2c(Br)c(-c3ccccn3)nc2s1
InChIInChI=1S/C9H6BrN5O2S2.BrH/c10-7-6(5-3-1-2-4-12-5)13-8-15(7)14-9(18-8)19(11,16)17;/h1-4H,(H2,11,16,17);1H
InChIKeyXJPVDDWOVXTWPP-UHFFFAOYSA-N
XLogP1.84
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide?
The IUPAC name of 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide (CID 21110222) is 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide.
What is the SMILES notation for 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide?
The canonical SMILES for 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide is Br.NS(=O)(=O)c1nn2c(Br)c(-c3ccccn3)nc2s1.
What is the InChIKey of 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide?
The InChIKey is XJPVDDWOVXTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5O2S2.BrH/c10-7-6(5-3-1-2-4-12-5)13-8-15(7)14-9(18-8)19(11,16)17;/h1-4H,(H2,11,16,17);1H.
What are the key properties of 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide?
5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide has a molecular weight of 441.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide is sourced from PubChem (CID 21110222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).