2-(4-fluorophenyl)-1,3-benzothiazol-6-ol

C13H8FNOS — CID 16734166

IUPAC2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C13H8FNOS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H
InChIKeyAMGGIBWEIGCKRZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.81
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol

2-(4-fluorophenyl)-1,3-benzothiazol-6-ol (PubChem CID 16734166) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
PubChem CID16734166
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C13H8FNOS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H
InChIKeyAMGGIBWEIGCKRZ-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
CID 146253215
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
CID 114103523
2-[[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]methylidene]propanedinitrile
CID 122435518
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
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
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-6-yl]methylimino]propanedinitrile
CID 167648771
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
CID 54671861

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol (CID 16734166) is 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol is Oc1ccc2nc(-c3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol?
The InChIKey is AMGGIBWEIGCKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H.
What are the key properties of 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol?
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol has a molecular weight of 245.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 16734166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).