5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C14H9BrN4O2S2 — CID 21110221

IUPAC5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2c(Br)c(-c3ccc4ccccc4c3)nc2s1
InChIInChI=1S/C14H9BrN4O2S2/c15-12-11(10-6-5-8-3-1-2-4-9(8)7-10)17-13-19(12)18-14(22-13)23(16,20)21/h1-7H,(H2,16,20,21)
InChIKeyVUDNLGCEHLOJMF-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.02
Rot. Bonds2

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

5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 21110221) has the molecular formula C14H9BrN4O2S2 and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID21110221
Molecular FormulaC14H9BrN4O2S2
Molecular Weight409.29 g/mol
Exact Mass407.94
IUPAC Name5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2c(Br)c(-c3ccc4ccccc4c3)nc2s1
InChIInChI=1S/C14H9BrN4O2S2/c15-12-11(10-6-5-8-3-1-2-4-9(8)7-10)17-13-19(12)18-14(22-13)23(16,20)21/h1-7H,(H2,16,20,21)
InChIKeyVUDNLGCEHLOJMF-UHFFFAOYSA-N
XLogP3.02
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-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 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 21110221) is 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2c(Br)c(-c3ccc4ccccc4c3)nc2s1.
What is the InChIKey of 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is VUDNLGCEHLOJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O2S2/c15-12-11(10-6-5-8-3-1-2-4-9(8)7-10)17-13-19(12)18-14(22-13)23(16,20)21/h1-7H,(H2,16,20,21).
What are the key properties of 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 409.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 21110221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).