5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid

C14H15NO4S — CID 106510708

IUPAC5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2ccc(OC)cc2OC)s1
InChIInChI=1S/C14H15NO4S/c1-4-11-15-12(14(16)17)13(20-11)9-6-5-8(18-2)7-10(9)19-3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyQVIRAUZUQZMOHS-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.09
Rot. Bonds5

About 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid

5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510708) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510708
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2ccc(OC)cc2OC)s1
InChIInChI=1S/C14H15NO4S/c1-4-11-15-12(14(16)17)13(20-11)9-6-5-8(18-2)7-10(9)19-3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyQVIRAUZUQZMOHS-UHFFFAOYSA-N
XLogP3.09
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510719
5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510751
3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83036757
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
2-ethyl-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510717
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878
2-(2,4-dimethoxyphenyl)-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 130398850
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid (CID 106510708) is 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(-c2ccc(OC)cc2OC)s1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QVIRAUZUQZMOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-11-15-12(14(16)17)13(20-11)9-6-5-8(18-2)7-10(9)19-3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).