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

C14H8FNO3S — CID 71458857

IUPAC(2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
SMILESO=C(c1nc2ccc(O)cc2s1)c1cccc(O)c1F
InChIInChI=1S/C14H8FNO3S/c15-12-8(2-1-3-10(12)18)13(19)14-16-9-5-4-7(17)6-11(9)20-14/h1-6,17-18H
InChIKeyMTZNQBNVWKUPPC-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.08
Rot. Bonds2

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

(2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone (PubChem CID 71458857) has the molecular formula C14H8FNO3S and a molecular weight of 289.29 g/mol. Its IUPAC name is (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
PubChem CID71458857
Molecular FormulaC14H8FNO3S
Molecular Weight289.29 g/mol
Exact Mass289.02
IUPAC Name(2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
SMILESO=C(c1nc2ccc(O)cc2s1)c1cccc(O)c1F
InChIInChI=1S/C14H8FNO3S/c15-12-8(2-1-3-10(12)18)13(19)14-16-9-5-4-7(17)6-11(9)20-14/h1-6,17-18H
InChIKeyMTZNQBNVWKUPPC-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 (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone (CID 71458857) is (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone is O=C(c1nc2ccc(O)cc2s1)c1cccc(O)c1F.
What is the InChIKey of (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
The InChIKey is MTZNQBNVWKUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3S/c15-12-8(2-1-3-10(12)18)13(19)14-16-9-5-4-7(17)6-11(9)20-14/h1-6,17-18H.
What are the key properties of (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone?
(2-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 (2-fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 71458857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).