2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C10H7BrN4O2S2 — CID 67335144

IUPAC2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cnc2sc(Br)nn12
InChIInChI=1S/C10H7BrN4O2S2/c11-9-13-15-8(6-12-10(15)18-9)19(16,17)14-7-4-2-1-3-5-7/h1-6,14H
InChIKeyQTNKRICUUZBICH-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.35
Rot. Bonds3

About 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 67335144) has the molecular formula C10H7BrN4O2S2 and a molecular weight of 359.23 g/mol. Its IUPAC name is 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID67335144
Molecular FormulaC10H7BrN4O2S2
Molecular Weight359.23 g/mol
Exact Mass357.92
IUPAC Name2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cnc2sc(Br)nn12
InChIInChI=1S/C10H7BrN4O2S2/c11-9-13-15-8(6-12-10(15)18-9)19(16,17)14-7-4-2-1-3-5-7/h1-6,14H
InChIKeyQTNKRICUUZBICH-UHFFFAOYSA-N
XLogP2.35
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 67335144) is 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is O=S(=O)(Nc1ccccc1)c1cnc2sc(Br)nn12.
What is the InChIKey of 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is QTNKRICUUZBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O2S2/c11-9-13-15-8(6-12-10(15)18-9)19(16,17)14-7-4-2-1-3-5-7/h1-6,14H.
What are the key properties of 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 359.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 67335144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).