5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol

C18H11FN2O2S — CID 166635942

IUPAC5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc4scnc4c3)n2)ccc1F
InChIInChI=1S/C18H11FN2O2S/c19-13-6-5-12(9-16(13)22)23-18-3-1-2-14(21-18)11-4-7-17-15(8-11)20-10-24-17/h1-10,22H
InChIKeyMDNGXNGZIJIZAI-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.00
Rot. Bonds3

About 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol

5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166635942) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166635942
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc4scnc4c3)n2)ccc1F
InChIInChI=1S/C18H11FN2O2S/c19-13-6-5-12(9-16(13)22)23-18-3-1-2-14(21-18)11-4-7-17-15(8-11)20-10-24-17/h1-10,22H
InChIKeyMDNGXNGZIJIZAI-UHFFFAOYSA-N
XLogP5.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol (CID 166635942) is 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3ccc4scnc4c3)n2)ccc1F.
What is the InChIKey of 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is MDNGXNGZIJIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-13-6-5-12(9-16(13)22)23-18-3-1-2-14(21-18)11-4-7-17-15(8-11)20-10-24-17/h1-10,22H.
What are the key properties of 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol has a molecular weight of 338.36 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1,3-benzothiazol-5-yl)-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166635942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).