(4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone

C14H8FNO3S — CID 56929249

IUPAC(4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
SMILESO=C(c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H
InChIKeyRIYCHKQKHFIRTQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.08
Rot. Bonds2

About (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone

(4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone (PubChem CID 56929249) has the molecular formula C14H8FNO3S and a molecular weight of 289.29 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
PubChem CID56929249
Molecular FormulaC14H8FNO3S
Molecular Weight289.29 g/mol
Exact Mass289.02
IUPAC Name(4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
SMILESO=C(c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H
InChIKeyRIYCHKQKHFIRTQ-UHFFFAOYSA-N
XLogP3.08
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone (CID 56929249) is (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone is O=C(c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
The InChIKey is RIYCHKQKHFIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
(4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone has a molecular weight of 289.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 56929249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).