2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C14H15NO4S — CID 20991152

IUPAC2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1cc(-c2nc(C)c(C(=O)O)s2)ccc1OC
InChIInChI=1S/C14H15NO4S/c1-4-19-11-7-9(5-6-10(11)18-3)13-15-8(2)12(20-13)14(16)17/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeySNTONKOJAAUAIK-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 20991152) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID20991152
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1cc(-c2nc(C)c(C(=O)O)s2)ccc1OC
InChIInChI=1S/C14H15NO4S/c1-4-19-11-7-9(5-6-10(11)18-3)13-15-8(2)12(20-13)14(16)17/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeySNTONKOJAAUAIK-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-3-[2-(2-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990695
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
[2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427206
2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427214
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20992642
2-(3-bromo-4-butoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990459
2-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988096
2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 51229118
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
2-[3-carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46849410
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205389

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 20991152) is 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCOc1cc(-c2nc(C)c(C(=O)O)s2)ccc1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SNTONKOJAAUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-19-11-7-9(5-6-10(11)18-3)13-15-8(2)12(20-13)14(16)17/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 20991152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).