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

C15H13N3O2S — CID 155563531

IUPAC6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Oc1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIInChI=1S/C15H13N3O2S/c1-9(2)19-15-17-18-8-11(16-14(18)21-15)13-7-10-5-3-4-6-12(10)20-13/h3-9H,1-2H3
InChIKeyVQKQSTGRIISDLW-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.99
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 155563531) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID155563531
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)Oc1nn2cc(-c3cc4ccccc4o3)nc2s1
InChIInChI=1S/C15H13N3O2S/c1-9(2)19-15-17-18-8-11(16-14(18)21-15)13-7-10-5-3-4-6-12(10)20-13/h3-9H,1-2H3
InChIKeyVQKQSTGRIISDLW-UHFFFAOYSA-N
XLogP3.99
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.99
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-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole (CID 155563531) is 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole is CC(C)Oc1nn2cc(-c3cc4ccccc4o3)nc2s1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VQKQSTGRIISDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(2)19-15-17-18-8-11(16-14(18)21-15)13-7-10-5-3-4-6-12(10)20-13/h3-9H,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole?
6-(1-benzofuran-2-yl)-2-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 299.36 g/mol, XLogP of 3.99, 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-propan-2-yloxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 155563531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).