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

C15H10FNO2S — CID 107692404

IUPAC1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)c(F)c1)c1nc2ccccc2s1
InChIInChI=1S/C15H10FNO2S/c16-10-7-9(5-6-12(10)18)8-13(19)15-17-11-3-1-2-4-14(11)20-15/h1-7,18H,8H2
InChIKeyWOQAVCRMMDSZGU-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.57
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone (PubChem CID 107692404) has the molecular formula C15H10FNO2S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone
PubChem CID107692404
Molecular FormulaC15H10FNO2S
Molecular Weight287.31 g/mol
Exact Mass287.04
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)c(F)c1)c1nc2ccccc2s1
InChIInChI=1S/C15H10FNO2S/c16-10-7-9(5-6-12(10)18)8-13(19)15-17-11-3-1-2-4-14(11)20-15/h1-7,18H,8H2
InChIKeyWOQAVCRMMDSZGU-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 113457171
1-(1,3-benzothiazol-2-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 65022506
1-(1,3-benzothiazol-2-yl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159261807
1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 43235787
1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 104770850
N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 118657800
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
CID 83393932
2-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 157105771
1-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 43090832
1-(1,3-benzothiazol-2-yl)-3-ethylpentan-1-one
CID 43166671
4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
CID 142733952
2-(azepan-2-yl)-1-(1,3-benzothiazol-2-yl)ethanone
CID 79537658

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone (CID 107692404) is 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone is O=C(Cc1ccc(O)c(F)c1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone?
The InChIKey is WOQAVCRMMDSZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-10-7-9(5-6-12(10)18)8-13(19)15-17-11-3-1-2-4-14(11)20-15/h1-7,18H,8H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone?
1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone has a molecular weight of 287.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 107692404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).