5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid

C24H18FNO3S — CID 89470565

IUPAC5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2csc(-c3ccc(-c4ccccc4C)c(C(=O)O)c3)n2)c(F)c1
InChIInChI=1S/C24H18FNO3S/c1-14-5-3-4-6-17(14)18-9-7-15(11-20(18)24(27)28)23-26-22(13-30-23)19-10-8-16(29-2)12-21(19)25/h3-13H,1-2H3,(H,27,28)
InChIKeyWCZACSHRETZJGQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.30
Rot. Bonds5

About 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid

5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid (PubChem CID 89470565) has the molecular formula C24H18FNO3S and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
PubChem CID89470565
Molecular FormulaC24H18FNO3S
Molecular Weight419.48 g/mol
Exact Mass419.10
IUPAC Name5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2csc(-c3ccc(-c4ccccc4C)c(C(=O)O)c3)n2)c(F)c1
InChIInChI=1S/C24H18FNO3S/c1-14-5-3-4-6-17(14)18-9-7-15(11-20(18)24(27)28)23-26-22(13-30-23)19-10-8-16(29-2)12-21(19)25/h3-13H,1-2H3,(H,27,28)
InChIKeyWCZACSHRETZJGQ-UHFFFAOYSA-N
XLogP6.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
CID 89470594
5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470635
2-(2-chloro-5-methoxyphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679847
5-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470545
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid;methyl 2-bromo-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 158579784
[2-[2-carboxy-4-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]phenyl]phenyl]-methoxyazanium
CID 144556976
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589
[2-[2-carboxy-4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]phenyl]phenyl]-methoxyazanium
CID 144556950
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid?
The IUPAC name of 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid (CID 89470565) is 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid.
What is the SMILES notation for 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid?
The canonical SMILES for 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid is COc1ccc(-c2csc(-c3ccc(-c4ccccc4C)c(C(=O)O)c3)n2)c(F)c1.
What is the InChIKey of 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid?
The InChIKey is WCZACSHRETZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3S/c1-14-5-3-4-6-17(14)18-9-7-15(11-20(18)24(27)28)23-26-22(13-30-23)19-10-8-16(29-2)12-21(19)25/h3-13H,1-2H3,(H,27,28).
What are the key properties of 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid?
5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid has a molecular weight of 419.48 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid is sourced from PubChem (CID 89470565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).