2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol

C15H13N3O3S — CID 130179568

IUPAC2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol
SMILESCCc1nn2cc(-c3cc4c(O)cc(OC)cc4o3)nc2s1
InChIInChI=1S/C15H13N3O3S/c1-3-14-17-18-7-10(16-15(18)22-14)13-6-9-11(19)4-8(20-2)5-12(9)21-13/h4-7,19H,3H2,1-2H3
InChIKeyGWSZMWIBLHCRJX-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol

2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol (PubChem CID 130179568) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol
PubChem CID130179568
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol
SMILESCCc1nn2cc(-c3cc4c(O)cc(OC)cc4o3)nc2s1
InChIInChI=1S/C15H13N3O3S/c1-3-14-17-18-7-10(16-15(18)22-14)13-6-9-11(19)4-8(20-2)5-12(9)21-13/h4-7,19H,3H2,1-2H3
InChIKeyGWSZMWIBLHCRJX-UHFFFAOYSA-N
XLogP3.48
TPSA72.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol?
The IUPAC name of 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol (CID 130179568) is 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol.
What is the SMILES notation for 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol?
The canonical SMILES for 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol is CCc1nn2cc(-c3cc4c(O)cc(OC)cc4o3)nc2s1.
What is the InChIKey of 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol?
The InChIKey is GWSZMWIBLHCRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-3-14-17-18-7-10(16-15(18)22-14)13-6-9-11(19)4-8(20-2)5-12(9)21-13/h4-7,19H,3H2,1-2H3.
What are the key properties of 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol?
2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol has a molecular weight of 315.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol is sourced from PubChem (CID 130179568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).