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

C14H11N3O2S — CID 118070587

IUPAC6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIInChI=1S/C14H11N3O2S/c1-2-18-14-16-17-8-10(15-13(17)20-14)12-7-9-5-3-4-6-11(9)19-12/h3-8H,2H2,1H3
InChIKeyYXXQBTWPEKGLFG-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.60
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118070587) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118070587
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIInChI=1S/C14H11N3O2S/c1-2-18-14-16-17-8-10(15-13(17)20-14)12-7-9-5-3-4-6-11(9)19-12/h3-8H,2H2,1H3
InChIKeyYXXQBTWPEKGLFG-UHFFFAOYSA-N
XLogP3.60
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 118070587) is 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole is CCOc1nn2cc(-c3cc4ccccc4o3)nc2s1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is YXXQBTWPEKGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-2-18-14-16-17-8-10(15-13(17)20-14)12-7-9-5-3-4-6-11(9)19-12/h3-8H,2H2,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 285.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-ethoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118070587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).