1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone

C14H8FNO2S — CID 56929161

IUPAC1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)c(O)c1)c1nc2ccccc2s1
InChIInChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H
InChIKeyUOBOJVVAQWOAJS-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.37
Rot. Bonds2

About 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone

1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone (PubChem CID 56929161) has the molecular formula C14H8FNO2S and a molecular weight of 273.29 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone
PubChem CID56929161
Molecular FormulaC14H8FNO2S
Molecular Weight273.29 g/mol
Exact Mass273.03
IUPAC Name1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)c(O)c1)c1nc2ccccc2s1
InChIInChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H
InChIKeyUOBOJVVAQWOAJS-UHFFFAOYSA-N
XLogP3.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone (CID 56929161) is 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(F)c(O)c1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is UOBOJVVAQWOAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H.
What are the key properties of 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone?
1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 273.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 56929161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).