2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid

C15H10FNO3S — CID 107470295

IUPAC2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cccc(F)c1-c1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C15H10FNO3S/c1-20-11-4-2-3-9(16)13(11)14-17-10-6-5-8(15(18)19)7-12(10)21-14/h2-7H,1H3,(H,18,19)
InChIKeyXXALYYVBNIQYGH-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid

2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 107470295) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
PubChem CID107470295
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cccc(F)c1-c1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C15H10FNO3S/c1-20-11-4-2-3-9(16)13(11)14-17-10-6-5-8(15(18)19)7-12(10)21-14/h2-7H,1H3,(H,18,19)
InChIKeyXXALYYVBNIQYGH-UHFFFAOYSA-N
XLogP3.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-(4-chloro-2-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470129
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470389
6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
CID 134862335
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
2-(3,4,5-trifluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470249
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
[3-fluoro-2-(5-methyl-1,3-benzothiazol-2-yl)phenyl] acetate
CID 135066864
2-(4-bromo-3-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470289
2-(2-bromo-5-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470297

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid (CID 107470295) is 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid is COc1cccc(F)c1-c1nc2ccc(C(=O)O)cc2s1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is XXALYYVBNIQYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-20-11-4-2-3-9(16)13(11)14-17-10-6-5-8(15(18)19)7-12(10)21-14/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 107470295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).