2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C18H15NO3S — CID 154186079

IUPAC2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C18H15NO3S/c1-22-14-10-6-5-9-13(14)18-19-17(12-7-3-2-4-8-12)15(23-18)11-16(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyWPXRBWRTKZSRLX-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.11
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 154186079) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID154186079
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C18H15NO3S/c1-22-14-10-6-5-9-13(14)18-19-17(12-7-3-2-4-8-12)15(23-18)11-16(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyWPXRBWRTKZSRLX-UHFFFAOYSA-N
XLogP4.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic 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

5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709903
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 89261170
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786
2-[2-(2-ethoxy-4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20987349
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035856
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 154186079) is 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is COc1ccccc1-c1nc(-c2ccccc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WPXRBWRTKZSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-22-14-10-6-5-9-13(14)18-19-17(12-7-3-2-4-8-12)15(23-18)11-16(20)21/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 325.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 154186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).