6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C15H13N3O4S — CID 118068442

IUPAC6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3
InChIKeyPLCWVGJJGZTGER-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.23
Rot. Bonds4

About 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118068442) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118068442
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3
InChIKeyPLCWVGJJGZTGER-UHFFFAOYSA-N
XLogP3.23
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 118068442) is 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OC)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PLCWVGJJGZTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3.
What are the key properties of 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 331.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118068442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).