6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole

C19H11BrN2OS — CID 155527280

IUPAC6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc2oc(-c3cn4c(-c5ccccc5)csc4n3)cc2c1
InChIInChI=1S/C19H11BrN2OS/c20-14-6-7-17-13(8-14)9-18(23-17)15-10-22-16(11-24-19(22)21-15)12-4-2-1-3-5-12/h1-11H
InChIKeyYBVLXIMGOLVRTK-UHFFFAOYSA-N
MW395.28 g/mol
LogP6.24
Rot. Bonds2

About 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole

6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 155527280) has the molecular formula C19H11BrN2OS and a molecular weight of 395.28 g/mol. Its IUPAC name is 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID155527280
Molecular FormulaC19H11BrN2OS
Molecular Weight395.28 g/mol
Exact Mass393.98
IUPAC Name6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc2oc(-c3cn4c(-c5ccccc5)csc4n3)cc2c1
InChIInChI=1S/C19H11BrN2OS/c20-14-6-7-17-13(8-14)9-18(23-17)15-10-22-16(11-24-19(22)21-15)12-4-2-1-3-5-12/h1-11H
InChIKeyYBVLXIMGOLVRTK-UHFFFAOYSA-N
XLogP6.24
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole (CID 155527280) is 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole is Brc1ccc2oc(-c3cn4c(-c5ccccc5)csc4n3)cc2c1.
What is the InChIKey of 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is YBVLXIMGOLVRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrN2OS/c20-14-6-7-17-13(8-14)9-18(23-17)15-10-22-16(11-24-19(22)21-15)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole?
6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 395.28 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155527280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).