6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C14H10BrN3O3S — CID 126729364

IUPAC6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cc4cc(Br)cc(OC)c4o3)nc2s1
InChIInChI=1S/C14H10BrN3O3S/c1-19-11-5-8(15)3-7-4-10(21-12(7)11)9-6-18-13(16-9)22-14(17-18)20-2/h3-6H,1-2H3
InChIKeyZHPUTMYMXLHTDU-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.98
Rot. Bonds3

About 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 126729364) has the molecular formula C14H10BrN3O3S and a molecular weight of 380.22 g/mol. Its IUPAC name is 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID126729364
Molecular FormulaC14H10BrN3O3S
Molecular Weight380.22 g/mol
Exact Mass378.96
IUPAC Name6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cc4cc(Br)cc(OC)c4o3)nc2s1
InChIInChI=1S/C14H10BrN3O3S/c1-19-11-5-8(15)3-7-4-10(21-12(7)11)9-6-18-13(16-9)22-14(17-18)20-2/h3-6H,1-2H3
InChIKeyZHPUTMYMXLHTDU-UHFFFAOYSA-N
XLogP3.98
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole 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 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 126729364) is 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1nn2cc(-c3cc4cc(Br)cc(OC)c4o3)nc2s1.
What is the InChIKey of 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZHPUTMYMXLHTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3S/c1-19-11-5-8(15)3-7-4-10(21-12(7)11)9-6-18-13(16-9)22-14(17-18)20-2/h3-6H,1-2H3.
What are the key properties of 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 380.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 126729364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).