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

C13H13NO3S — CID 82091190

IUPAC2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(C)cc1-c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-7-4-5-10(17-3)9(6-7)12-14-8(2)11(18-12)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeySYFDWPJGHWYPJB-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.13
Rot. Bonds3

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

2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82091190) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82091190
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(C)cc1-c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-7-4-5-10(17-3)9(6-7)12-14-8(2)11(18-12)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeySYFDWPJGHWYPJB-UHFFFAOYSA-N
XLogP3.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-5-methylphenyl)-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-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
2-(2-bromo-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 60926807
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-(2-methoxy-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 106789844
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55415660
2-(5-bromo-2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22682123
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82541050

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 82091190) is 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is COc1ccc(C)cc1-c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SYFDWPJGHWYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-7-4-5-10(17-3)9(6-7)12-14-8(2)11(18-12)13(15)16/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82091190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).