2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C14H15NO3S — CID 95481168

IUPAC2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C)c(C(=O)O)s2)c(C)c1C
InChIInChI=1S/C14H15NO3S/c1-7-8(2)11(18-4)6-5-10(7)13-15-9(3)12(19-13)14(16)17/h5-6H,1-4H3,(H,16,17)
InChIKeySWLUQGYHXHXDRG-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 95481168) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID95481168
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C)c(C(=O)O)s2)c(C)c1C
InChIInChI=1S/C14H15NO3S/c1-7-8(2)11(18-4)6-5-10(7)13-15-9(3)12(19-13)14(16)17/h5-6H,1-4H3,(H,16,17)
InChIKeySWLUQGYHXHXDRG-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic 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-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190
2-(2-bromo-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 60926807
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
2-(5-bromo-2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22682123
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-[4-(2-methoxyphenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20984655
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 116887740

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 95481168) is 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nc(C)c(C(=O)O)s2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SWLUQGYHXHXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-7-8(2)11(18-4)6-5-10(7)13-15-9(3)12(19-13)14(16)17/h5-6H,1-4H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 95481168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).