2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole

C20H12N2OS — CID 2344321

IUPAC2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole
SMILESc1coc(-c2cc(-c3nc4ccccc4s3)c3ccccc3n2)c1
InChIInChI=1S/C20H12N2OS/c1-2-7-15-13(6-1)14(12-17(21-15)18-9-5-11-23-18)20-22-16-8-3-4-10-19(16)24-20/h1-12H
InChIKeyLGGGSJKWLYKHDB-UHFFFAOYSA-N
MW328.40 g/mol
LogP5.77
Rot. Bonds2

About 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole

2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole (PubChem CID 2344321) has the molecular formula C20H12N2OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole
PubChem CID2344321
Molecular FormulaC20H12N2OS
Molecular Weight328.40 g/mol
Exact Mass328.07
IUPAC Name2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole
SMILESc1coc(-c2cc(-c3nc4ccccc4s3)c3ccccc3n2)c1
InChIInChI=1S/C20H12N2OS/c1-2-7-15-13(6-1)14(12-17(21-15)18-9-5-11-23-18)20-22-16-8-3-4-10-19(16)24-20/h1-12H
InChIKeyLGGGSJKWLYKHDB-UHFFFAOYSA-N
XLogP5.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole (CID 2344321) is 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole is c1coc(-c2cc(-c3nc4ccccc4s3)c3ccccc3n2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole?
The InChIKey is LGGGSJKWLYKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2OS/c1-2-7-15-13(6-1)14(12-17(21-15)18-9-5-11-23-18)20-22-16-8-3-4-10-19(16)24-20/h1-12H.
What are the key properties of 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole?
2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole has a molecular weight of 328.40 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)quinolin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 2344321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).