2-(1-benzofuran-6-yl)-1,3-benzothiazole

C15H9NOS — CID 123795055

IUPAC2-(1-benzofuran-6-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc4ccoc4c3)nc2c1
InChIInChI=1S/C15H9NOS/c1-2-4-14-12(3-1)16-15(18-14)11-6-5-10-7-8-17-13(10)9-11/h1-9H
InChIKeyOWYYAAYJFQATMM-UHFFFAOYSA-N
MW251.31 g/mol
LogP4.71
Rot. Bonds1

About 2-(1-benzofuran-6-yl)-1,3-benzothiazole

2-(1-benzofuran-6-yl)-1,3-benzothiazole (PubChem CID 123795055) has the molecular formula C15H9NOS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1-benzofuran-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-benzofuran-6-yl)-1,3-benzothiazole
PubChem CID123795055
Molecular FormulaC15H9NOS
Molecular Weight251.31 g/mol
Exact Mass251.04
IUPAC Name2-(1-benzofuran-6-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc4ccoc4c3)nc2c1
InChIInChI=1S/C15H9NOS/c1-2-4-14-12(3-1)16-15(18-14)11-6-5-10-7-8-17-13(10)9-11/h1-9H
InChIKeyOWYYAAYJFQATMM-UHFFFAOYSA-N
XLogP4.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
2-(1H-indol-6-yl)-1,3-benzothiazole
CID 15461511
2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-6-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1-benzofuran-6-yl)-1,3-benzothiazole (CID 123795055) is 2-(1-benzofuran-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1-benzofuran-6-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1-benzofuran-6-yl)-1,3-benzothiazole is c1ccc2sc(-c3ccc4ccoc4c3)nc2c1.
What is the InChIKey of 2-(1-benzofuran-6-yl)-1,3-benzothiazole?
The InChIKey is OWYYAAYJFQATMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NOS/c1-2-4-14-12(3-1)16-15(18-14)11-6-5-10-7-8-17-13(10)9-11/h1-9H.
What are the key properties of 2-(1-benzofuran-6-yl)-1,3-benzothiazole?
2-(1-benzofuran-6-yl)-1,3-benzothiazole has a molecular weight of 251.31 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 123795055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).