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

C17H13NO3S — CID 18707150

IUPAC2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
SMILESCOc1ccc(-c2csc(-c3ccccc3)n2)cc1C(=O)O
InChIInChI=1S/C17H13NO3S/c1-21-15-8-7-12(9-13(15)17(19)20)14-10-22-16(18-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKeyUTGOGBUOJYSVID-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.18
Rot. Bonds4

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

2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 18707150) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
PubChem CID18707150
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
SMILESCOc1ccc(-c2csc(-c3ccccc3)n2)cc1C(=O)O
InChIInChI=1S/C17H13NO3S/c1-21-15-8-7-12(9-13(15)17(19)20)14-10-22-16(18-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKeyUTGOGBUOJYSVID-UHFFFAOYSA-N
XLogP4.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic 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-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)benzoic acid;methyl 2-bromo-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 159478039
2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
CID 89470594
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
CID 155566832
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
CID 97035954
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid (CID 18707150) is 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid is COc1ccc(-c2csc(-c3ccccc3)n2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is UTGOGBUOJYSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-21-15-8-7-12(9-13(15)17(19)20)14-10-22-16(18-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20).
What are the key properties of 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 311.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 18707150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).