2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione

C16H9NO4S — CID 21184412

IUPAC2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione
SMILESCOc1ccc2c(c1)C(=O)c1sc(-c3ccco3)nc1C2=O
InChIInChI=1S/C16H9NO4S/c1-20-8-4-5-9-10(7-8)14(19)15-12(13(9)18)17-16(22-15)11-3-2-6-21-11/h2-7H,1H3
InChIKeyJTZQOZNCHKHLLN-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.19
Rot. Bonds2

About 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione

2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione (PubChem CID 21184412) has the molecular formula C16H9NO4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione
PubChem CID21184412
Molecular FormulaC16H9NO4S
Molecular Weight311.32 g/mol
Exact Mass311.03
IUPAC Name2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione
SMILESCOc1ccc2c(c1)C(=O)c1sc(-c3ccco3)nc1C2=O
InChIInChI=1S/C16H9NO4S/c1-20-8-4-5-9-10(7-8)14(19)15-12(13(9)18)17-16(22-15)11-3-2-6-21-11/h2-7H,1H3
InChIKeyJTZQOZNCHKHLLN-UHFFFAOYSA-N
XLogP3.19
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)benzo[f][1,3]benzothiazole-4,9-dione
CID 10446437
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-(2-bromo-4-methoxyphenyl)furan
CID 168524550
5-[(2,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-oxo-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid
CID 141191020
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 55572070
4-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 10563407
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
4-(2,4-difluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole
CID 32501061
2-(furan-2-yl)-5-(2-pyrrolidin-1-ylethylimino)-1,3-benzothiazole-4,7-dione
CID 91025052
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione?
The IUPAC name of 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione (CID 21184412) is 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione.
What is the SMILES notation for 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione?
The canonical SMILES for 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione is COc1ccc2c(c1)C(=O)c1sc(-c3ccco3)nc1C2=O.
What is the InChIKey of 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione?
The InChIKey is JTZQOZNCHKHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO4S/c1-20-8-4-5-9-10(7-8)14(19)15-12(13(9)18)17-16(22-15)11-3-2-6-21-11/h2-7H,1H3.
What are the key properties of 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione?
2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione has a molecular weight of 311.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione is sourced from PubChem (CID 21184412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).