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

C8H6N4O2S3 — CID 10125443

IUPAC6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3cccs3)nc2s1
InChIInChI=1S/C8H6N4O2S3/c9-17(13,14)8-11-12-4-5(10-7(12)16-8)6-2-1-3-15-6/h1-4H,(H2,9,13,14)
InChIKeySKSLXMJJVLBPPJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.17
Rot. Bonds2

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

6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 10125443) has the molecular formula C8H6N4O2S3 and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID10125443
Molecular FormulaC8H6N4O2S3
Molecular Weight286.36 g/mol
Exact Mass285.97
IUPAC Name6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3cccs3)nc2s1
InChIInChI=1S/C8H6N4O2S3/c9-17(13,14)8-11-12-4-5(10-7(12)16-8)6-2-1-3-15-6/h1-4H,(H2,9,13,14)
InChIKeySKSLXMJJVLBPPJ-UHFFFAOYSA-N
XLogP1.17
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 10125443) is 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2cc(-c3cccs3)nc2s1.
What is the InChIKey of 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is SKSLXMJJVLBPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2S3/c9-17(13,14)8-11-12-4-5(10-7(12)16-8)6-2-1-3-15-6/h1-4H,(H2,9,13,14).
What are the key properties of 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 10125443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).