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

C6H7BrN4O2S2 — CID 67337104

IUPAC2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCNS(=O)(=O)c1cnc2sc(Br)nn12
InChIInChI=1S/C6H7BrN4O2S2/c1-2-9-15(12,13)4-3-8-6-11(4)10-5(7)14-6/h3,9H,2H2,1H3
InChIKeyCWTLPSMNMHQWCV-UHFFFAOYSA-N
MW311.19 g/mol
LogP0.85
Rot. Bonds3

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

2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 67337104) 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-5-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID67337104
Molecular FormulaC6H7BrN4O2S2
Molecular Weight311.19 g/mol
Exact Mass309.92
IUPAC Name2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCNS(=O)(=O)c1cnc2sc(Br)nn12
InChIInChI=1S/C6H7BrN4O2S2/c1-2-9-15(12,13)4-3-8-6-11(4)10-5(7)14-6/h3,9H,2H2,1H3
InChIKeyCWTLPSMNMHQWCV-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

Analyze 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide
CID 45259405
Imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 23114444
2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl fluoride
CID 165459066
2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
CID 47003642
2-Ethylamino-imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonic acid ethylamide
CID 67335526
N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
CID 67335531
2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
CID 67336634
2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonamide
CID 67337105
2-Bromo-imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonic acid
CID 86656233
2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-6-sulfonic acid
CID 87360742
CID 87361287
CID 87361287
Imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
CID 84028520

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 67337104) is 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCNS(=O)(=O)c1cnc2sc(Br)nn12.
What is the InChIKey of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is CWTLPSMNMHQWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4O2S2/c1-2-9-15(12,13)4-3-8-6-11(4)10-5(7)14-6/h3,9H,2H2,1H3.
What are the key properties of 2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
2-bromo-N-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-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-5-sulfonamide is sourced from PubChem (CID 67337104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).