2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid

C14H15NO2S — CID 2236513

IUPAC2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(C)c(-c2nc(C)sc2CC(=O)O)c1
InChIInChI=1S/C14H15NO2S/c1-8-4-5-9(2)11(6-8)14-12(7-13(16)17)18-10(3)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQBWJUZWIXSEGQY-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.36
Rot. Bonds3

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

2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 2236513) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID2236513
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(C)c(-c2nc(C)sc2CC(=O)O)c1
InChIInChI=1S/C14H15NO2S/c1-8-4-5-9(2)11(6-8)14-12(7-13(16)17)18-10(3)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQBWJUZWIXSEGQY-UHFFFAOYSA-N
XLogP3.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,5-dimethylphenyl)-2-methyl-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

2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[2-(4-bromoanilino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1339805
N-[2-(dimethylamino)ethyl]-2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671615
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82294206
2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180938
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671618
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (CID 2236513) is 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is Cc1ccc(C)c(-c2nc(C)sc2CC(=O)O)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QBWJUZWIXSEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-4-5-9(2)11(6-8)14-12(7-13(16)17)18-10(3)15-14/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 261.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2236513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).