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

C13H8FNOS — CID 16734361

IUPAC2-(4-fluorophenyl)-1,3-benzothiazol-4-ol
SMILESOc1cccc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C13H8FNOS/c14-9-6-4-8(5-7-9)13-15-12-10(16)2-1-3-11(12)17-13/h1-7,16H
InChIKeyGKXYKGAKKREGOC-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.81
Rot. Bonds1

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

2-(4-fluorophenyl)-1,3-benzothiazol-4-ol (PubChem CID 16734361) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-benzothiazol-4-ol
PubChem CID16734361
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name2-(4-fluorophenyl)-1,3-benzothiazol-4-ol
SMILESOc1cccc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C13H8FNOS/c14-9-6-4-8(5-7-9)13-15-12-10(16)2-1-3-11(12)17-13/h1-7,16H
InChIKeyGKXYKGAKKREGOC-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol (CID 16734361) is 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol is Oc1cccc2sc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol?
The InChIKey is GKXYKGAKKREGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-9-6-4-8(5-7-9)13-15-12-10(16)2-1-3-11(12)17-13/h1-7,16H.
What are the key properties of 2-(4-fluorophenyl)-1,3-benzothiazol-4-ol?
2-(4-fluorophenyl)-1,3-benzothiazol-4-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-4-ol is sourced from PubChem (CID 16734361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).