2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid

C14H8FNO2S — CID 25233597

IUPAC2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H8FNO2S/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(17)18)7-12(11)19-13/h1-7H,(H,17,18)
InChIKeyRXYVGBHKOJJGJN-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.80
Rot. Bonds2

About 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid

2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 25233597) has the molecular formula C14H8FNO2S and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
PubChem CID25233597
Molecular FormulaC14H8FNO2S
Molecular Weight273.29 g/mol
Exact Mass273.03
IUPAC Name2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H8FNO2S/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(17)18)7-12(11)19-13/h1-7H,(H,17,18)
InChIKeyRXYVGBHKOJJGJN-UHFFFAOYSA-N
XLogP3.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,5-trifluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470249
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
2-(4-bromo-3-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470289
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-(2-bromo-5-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470297
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273
2-(4-carboxyphenyl)-1,3-benzothiazole-5-carboxylic acid
CID 142416097
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid (CID 25233597) is 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is RXYVGBHKOJJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(17)18)7-12(11)19-13/h1-7H,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid?
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 25233597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).