2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide

C6H7BrN4O2S2 — CID 67337105

IUPAC2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
SMILESCCNS(=O)(=O)c1cn2nc(Br)sc2n1
InChIInChI=1S/C6H7BrN4O2S2/c1-2-8-15(12,13)4-3-11-6(9-4)14-5(7)10-11/h3,8H,2H2,1H3
InChIKeyLSHZJXHWOYYXHZ-UHFFFAOYSA-N
MW311.19 g/mol
LogP0.85
Rot. Bonds3

About 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide

2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide (PubChem CID 67337105) has the molecular formula C6H7BrN4O2S2 and a molecular weight of 311.19 g/mol. Its IUPAC name is 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
PubChem CID67337105
Molecular FormulaC6H7BrN4O2S2
Molecular Weight311.19 g/mol
Exact Mass309.92
IUPAC Name2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
SMILESCCNS(=O)(=O)c1cn2nc(Br)sc2n1
InChIInChI=1S/C6H7BrN4O2S2/c1-2-8-15(12,13)4-3-11-6(9-4)14-5(7)10-11/h3,8H,2H2,1H3
InChIKeyLSHZJXHWOYYXHZ-UHFFFAOYSA-N
XLogP0.85
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
The IUPAC name of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide (CID 67337105) is 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide.
What is the SMILES notation for 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
The canonical SMILES for 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide is CCNS(=O)(=O)c1cn2nc(Br)sc2n1.
What is the InChIKey of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
The InChIKey is LSHZJXHWOYYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4O2S2/c1-2-8-15(12,13)4-3-11-6(9-4)14-5(7)10-11/h3,8H,2H2,1H3.
What are the key properties of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide?
2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide has a molecular weight of 311.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide is sourced from PubChem (CID 67337105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).