2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione

C15H7NO3S — CID 10446437

IUPAC2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2sc(-c3ccco3)nc21
InChIInChI=1S/C15H7NO3S/c17-12-8-4-1-2-5-9(8)13(18)14-11(12)16-15(20-14)10-6-3-7-19-10/h1-7H
InChIKeyVJKZUTFFMNSTTD-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.18
Rot. Bonds1

About 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione

2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione (PubChem CID 10446437) has the molecular formula C15H7NO3S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione.

Molecular Properties

Compound Name2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
PubChem CID10446437
Molecular FormulaC15H7NO3S
Molecular Weight281.29 g/mol
Exact Mass281.01
IUPAC Name2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2sc(-c3ccco3)nc21
InChIInChI=1S/C15H7NO3S/c17-12-8-4-1-2-5-9(8)13(18)14-11(12)16-15(20-14)10-6-3-7-19-10/h1-7H
InChIKeyVJKZUTFFMNSTTD-UHFFFAOYSA-N
XLogP3.18
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-6-methylbenzo[f][1,3]benzothiazole-4,9-dione
CID 21184379
2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione
CID 21184412
2-(furan-2-yl)-5-methoxybenzo[f][1,3]benzothiazole-4,9-dione
CID 21184376
2-(4-bromofuran-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
CID 21184398
2-(furan-2-yl)-5-(2-pyrrolidin-1-ylethylimino)-1,3-benzothiazole-4,7-dione
CID 91025052
4,9-dioxobenzo[f][1,3]benzothiazole-2-carboxylic acid
CID 11010697
1-[2-(furan-2-yl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64718148
2-bromo-5-(furan-2-yl)-1,3,4-thiadiazole
CID 63383548
3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carbonitrile
CID 10108095
3-(furan-2-yl)-2-methylinden-1-one
CID 23727587
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
CID 145436768

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione?
The IUPAC name of 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione (CID 10446437) is 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione.
What is the SMILES notation for 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione?
The canonical SMILES for 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione is O=C1c2ccccc2C(=O)c2sc(-c3ccco3)nc21.
What is the InChIKey of 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione?
The InChIKey is VJKZUTFFMNSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7NO3S/c17-12-8-4-1-2-5-9(8)13(18)14-11(12)16-15(20-14)10-6-3-7-19-10/h1-7H.
What are the key properties of 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione?
2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione has a molecular weight of 281.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione is sourced from PubChem (CID 10446437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).