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

C15H10FNO3S — CID 107470324

IUPAC2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc(-c2nc3ccc(C(=O)O)cc3s2)ccc1F
InChIInChI=1S/C15H10FNO3S/c1-20-12-6-8(2-4-10(12)16)14-17-11-5-3-9(15(18)19)7-13(11)21-14/h2-7H,1H3,(H,18,19)
InChIKeyQSUDWINNMOTFDQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.81
Rot. Bonds3

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

2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 107470324) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
PubChem CID107470324
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc(-c2nc3ccc(C(=O)O)cc3s2)ccc1F
InChIInChI=1S/C15H10FNO3S/c1-20-12-6-8(2-4-10(12)16)14-17-11-5-3-9(15(18)19)7-13(11)21-14/h2-7H,1H3,(H,18,19)
InChIKeyQSUDWINNMOTFDQ-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

Analyze 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-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

2-Methyl-1,3-benzothiazole-6-carboxylic acid
CID 246898
2-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963
2-Phenyl-1,3-benzothiazole-6-carboxylic acid
CID 620459
Benzoic acid 2-methyl-benzothiazol-6-yl ester
CID 836197
2-Methyl-benzothiazole-6-carboxylic acid (3-methoxy-phenyl)-amide
CID 1085964
2-(benzothiazol-2-ylmethoxy)benzoic Acid
CID 8196429
2-(4-Aminophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 3665766
2-[2-[4-(5-Phenylpentylsulfanyl)phenoxy]acetyl]-1,3-benzothiazole-6-carboxylic acid
CID 9805642
1,3-Benzothiazol-2-yl-(4-fluoro-3-hydroxyphenyl)methanone
CID 56929161
(4-Fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone
CID 56929162
(4-Fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
CID 56929249
(2-Fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
CID 71458857

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid (CID 107470324) is 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid is COc1cc(-c2nc3ccc(C(=O)O)cc3s2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is QSUDWINNMOTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-20-12-6-8(2-4-10(12)16)14-17-11-5-3-9(15(18)19)7-13(11)21-14/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid?
2-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 107470324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).