6-benzylimidazo[2,1-b][1,3,4]thiadiazole

C11H9N3S — CID 107646828

IUPAC6-benzylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2cn3ncsc3n2)cc1
InChIInChI=1S/C11H9N3S/c1-2-4-9(5-3-1)6-10-7-14-11(13-10)15-8-12-14/h1-5,7-8H,6H2
InChIKeyOAJJCFROYKRYFZ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.38
Rot. Bonds2

About 6-benzylimidazo[2,1-b][1,3,4]thiadiazole

6-benzylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646828) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 6-benzylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-benzylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646828
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name6-benzylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2cn3ncsc3n2)cc1
InChIInChI=1S/C11H9N3S/c1-2-4-9(5-3-1)6-10-7-14-11(13-10)15-8-12-14/h1-5,7-8H,6H2
InChIKeyOAJJCFROYKRYFZ-UHFFFAOYSA-N
XLogP2.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-benzylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646828) is 6-benzylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-benzylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-benzylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(Cc2cn3ncsc3n2)cc1.
What is the InChIKey of 6-benzylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is OAJJCFROYKRYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-2-4-9(5-3-1)6-10-7-14-11(13-10)15-8-12-14/h1-5,7-8H,6H2.
What are the key properties of 6-benzylimidazo[2,1-b][1,3,4]thiadiazole?
6-benzylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 215.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).