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

C14H15NO4S — CID 106510751

IUPAC5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2cccc(OC)c2OC)s1
InChIInChI=1S/C14H15NO4S/c1-4-10-15-11(14(16)17)13(20-10)8-6-5-7-9(18-2)12(8)19-3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyMUBLVLYMTILTCI-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.09
Rot. Bonds5

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

5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510751) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510751
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2cccc(OC)c2OC)s1
InChIInChI=1S/C14H15NO4S/c1-4-10-15-11(14(16)17)13(20-10)8-6-5-7-9(18-2)12(8)19-3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyMUBLVLYMTILTCI-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-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259
5-(3,5-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510719
2-ethyl-5-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 107105442
5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510854
ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271349
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
5-(2,3-dichlorophenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510825
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106510771
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
2-ethyl-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510717

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid (CID 106510751) is 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(-c2cccc(OC)c2OC)s1.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is MUBLVLYMTILTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-10-15-11(14(16)17)13(20-10)8-6-5-7-9(18-2)12(8)19-3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
5-(2,3-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-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).