6-fluoro-1,3-benzothiazole-4-carboxylic acid

C8H4FNO2S — CID 67467360

IUPAC6-fluoro-1,3-benzothiazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2scnc12
InChIInChI=1S/C8H4FNO2S/c9-4-1-5(8(11)12)7-6(2-4)13-3-10-7/h1-3H,(H,11,12)
InChIKeyGNGJOTROCBBLJP-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.13
Rot. Bonds1

About 6-fluoro-1,3-benzothiazole-4-carboxylic acid

6-fluoro-1,3-benzothiazole-4-carboxylic acid (PubChem CID 67467360) has the molecular formula C8H4FNO2S and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-fluoro-1,3-benzothiazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1,3-benzothiazole-4-carboxylic acid
PubChem CID67467360
Molecular FormulaC8H4FNO2S
Molecular Weight197.19 g/mol
Exact Mass196.99
IUPAC Name6-fluoro-1,3-benzothiazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2scnc12
InChIInChI=1S/C8H4FNO2S/c9-4-1-5(8(11)12)7-6(2-4)13-3-10-7/h1-3H,(H,11,12)
InChIKeyGNGJOTROCBBLJP-UHFFFAOYSA-N
XLogP2.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-1,3-benzothiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-1,3-benzothiazol-4-amine
CID 53412806
6-fluoro-2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid
CID 150908272
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid
CID 139369212
4-hydroxy-1,3-benzothiazole-6-carboxylic acid
CID 84665931
1,3-benzothiazole-4,7-dicarboxylic acid
CID 177414236
4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid
CID 84820533
5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
CID 178095906
4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzothiazole-6-carboxylic acid;methyl 4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzothiazole-6-carboxylate
CID 159470111
5-fluoro-2-methyl-3-methylsulfanylbenzoic acid
CID 164895491
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-benzothiazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-1,3-benzothiazole-4-carboxylic acid (CID 67467360) is 6-fluoro-1,3-benzothiazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-1,3-benzothiazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-1,3-benzothiazole-4-carboxylic acid is O=C(O)c1cc(F)cc2scnc12.
What is the InChIKey of 6-fluoro-1,3-benzothiazole-4-carboxylic acid?
The InChIKey is GNGJOTROCBBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2S/c9-4-1-5(8(11)12)7-6(2-4)13-3-10-7/h1-3H,(H,11,12).
What are the key properties of 6-fluoro-1,3-benzothiazole-4-carboxylic acid?
6-fluoro-1,3-benzothiazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-benzothiazole-4-carboxylic acid is sourced from PubChem (CID 67467360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).