5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol

C13H7FINOS — CID 114103523

IUPAC5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
SMILESOc1cc(-c2nc3ccc(F)cc3s2)ccc1I
InChIInChI=1S/C13H7FINOS/c14-8-2-4-10-12(6-8)18-13(16-10)7-1-3-9(15)11(17)5-7/h1-6,17H
InChIKeyZQVTZVDKPJVHBK-UHFFFAOYSA-N
MW371.17 g/mol
LogP4.41
Rot. Bonds1

About 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol

5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol (PubChem CID 114103523) has the molecular formula C13H7FINOS and a molecular weight of 371.17 g/mol. Its IUPAC name is 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol.

Molecular Properties

Compound Name5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
PubChem CID114103523
Molecular FormulaC13H7FINOS
Molecular Weight371.17 g/mol
Exact Mass370.93
IUPAC Name5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
SMILESOc1cc(-c2nc3ccc(F)cc3s2)ccc1I
InChIInChI=1S/C13H7FINOS/c14-8-2-4-10-12(6-8)18-13(16-10)7-1-3-9(15)11(17)5-7/h1-6,17H
InChIKeyZQVTZVDKPJVHBK-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 50849830
6-fluoro-2-(1H-indol-5-yl)-1,3-benzothiazole
CID 142734680
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
6-fluoro-2-(3-methyl-5-nitrophenyl)-1,3-benzothiazole
CID 155931260
2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
CID 80740445

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol?
The IUPAC name of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol (CID 114103523) is 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol.
What is the SMILES notation for 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol?
The canonical SMILES for 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol is Oc1cc(-c2nc3ccc(F)cc3s2)ccc1I.
What is the InChIKey of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol?
The InChIKey is ZQVTZVDKPJVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FINOS/c14-8-2-4-10-12(6-8)18-13(16-10)7-1-3-9(15)11(17)5-7/h1-6,17H.
What are the key properties of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol?
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol has a molecular weight of 371.17 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol is sourced from PubChem (CID 114103523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).