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

C12H11NO3S — CID 121414715

IUPAC4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2ncsc2C(=O)O)c(C)c1
InChIInChI=1S/C12H11NO3S/c1-7-5-8(16-2)3-4-9(7)10-11(12(14)15)17-6-13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyYEYUMKBQXQQLCK-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.83
Rot. Bonds3

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

4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 121414715) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID121414715
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2ncsc2C(=O)O)c(C)c1
InChIInChI=1S/C12H11NO3S/c1-7-5-8(16-2)3-4-9(7)10-11(12(14)15)17-6-13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyYEYUMKBQXQQLCK-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 145106003
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95481161
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129018
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82135516
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
4-(2-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867410
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 121414715) is 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2ncsc2C(=O)O)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YEYUMKBQXQQLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-7-5-8(16-2)3-4-9(7)10-11(12(14)15)17-6-13-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 121414715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).