2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid

C23H17NO2S — CID 89470594

IUPAC2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccccc3)cs2)cc1C(=O)O
InChIInChI=1S/C23H17NO2S/c1-15-7-5-6-10-18(15)19-12-11-17(13-20(19)23(25)26)22-24-21(14-27-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,25,26)
InChIKeyYVDXFZUPKJJBLO-UHFFFAOYSA-N
MW371.46 g/mol
LogP6.15
Rot. Bonds4

About 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid

2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 89470594) has the molecular formula C23H17NO2S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID89470594
Molecular FormulaC23H17NO2S
Molecular Weight371.46 g/mol
Exact Mass371.10
IUPAC Name2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccccc3)cs2)cc1C(=O)O
InChIInChI=1S/C23H17NO2S/c1-15-7-5-6-10-18(15)19-12-11-17(13-20(19)23(25)26)22-24-21(14-27-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,25,26)
InChIKeyYVDXFZUPKJJBLO-UHFFFAOYSA-N
XLogP6.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470635
5-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470545
5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470565
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-(3-acetylphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679858
[2-[2-carboxy-4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]phenyl]phenyl]-methoxyazanium
CID 144556950
[2-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-carboxyphenyl]phenyl]-oxidoazanium
CID 144556951
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol
CID 28942300
2-(3-chloro-4-cyanophenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679856
2-(2-chloro-5-methoxyphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679847
[2-[2-carboxy-4-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]phenyl]phenyl]-methoxyazanium
CID 144556976

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid (CID 89470594) is 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid is Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)cs2)cc1C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is YVDXFZUPKJJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2S/c1-15-7-5-6-10-18(15)19-12-11-17(13-20(19)23(25)26)22-24-21(14-27-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,25,26).
What are the key properties of 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid has a molecular weight of 371.46 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 89470594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).