4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid

C12H11NO4S — CID 82133695

IUPAC4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2ncsc2C(=O)O)cc1OC
InChIInChI=1S/C12H11NO4S/c1-16-8-4-3-7(5-9(8)17-2)10-11(12(14)15)18-6-13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyWALZSOJZUMUCQC-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.53
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid

4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82133695) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82133695
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2ncsc2C(=O)O)cc1OC
InChIInChI=1S/C12H11NO4S/c1-16-8-4-3-7(5-9(8)17-2)10-11(12(14)15)18-6-13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyWALZSOJZUMUCQC-UHFFFAOYSA-N
XLogP2.53
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82135516
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82296194
6-(3,4-dimethoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035666
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
ethane;4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 145106003
6-(3,4-dimethoxyphenyl)-3,5-diethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035683
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 82133695) is 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2ncsc2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WALZSOJZUMUCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-16-8-4-3-7(5-9(8)17-2)10-11(12(14)15)18-6-13-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82133695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).