3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole

C21H12N2O2S — CID 155556116

IUPAC3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2oc(-c3cn4c(-c5cc6ccccc6o5)csc4n3)cc2c1
InChIInChI=1S/C21H12N2O2S/c1-3-7-17-13(5-1)9-19(24-17)15-11-23-16(12-26-21(23)22-15)20-10-14-6-2-4-8-18(14)25-20/h1-12H
InChIKeyILAHKUJGQYYICE-UHFFFAOYSA-N
MW356.41 g/mol
LogP6.22
Rot. Bonds2

About 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole

3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155556116) has the molecular formula C21H12N2O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID155556116
Molecular FormulaC21H12N2O2S
Molecular Weight356.41 g/mol
Exact Mass356.06
IUPAC Name3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2oc(-c3cn4c(-c5cc6ccccc6o5)csc4n3)cc2c1
InChIInChI=1S/C21H12N2O2S/c1-3-7-17-13(5-1)9-19(24-17)15-11-23-16(12-26-21(23)22-15)20-10-14-6-2-4-8-18(14)25-20/h1-12H
InChIKeyILAHKUJGQYYICE-UHFFFAOYSA-N
XLogP6.22
TPSA43.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole
CID 155527280
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83091886
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
2-(1-benzofuran-2-yl)-6-chloroimidazo[1,2-a]pyridine
CID 3614378
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337489
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895
6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde
CID 86672842
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
CID 146460725
2-(1-benzofuran-2-yl)-6-methoxyimidazo[1,2-a]pyridine
CID 25014929
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole (CID 155556116) is 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole is c1ccc2oc(-c3cn4c(-c5cc6ccccc6o5)csc4n3)cc2c1.
What is the InChIKey of 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is ILAHKUJGQYYICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O2S/c1-3-7-17-13(5-1)9-19(24-17)15-11-23-16(12-26-21(23)22-15)20-10-14-6-2-4-8-18(14)25-20/h1-12H.
What are the key properties of 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole?
3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 356.41 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155556116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).