2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid

C12H11NO3S — CID 43140171

IUPAC2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C12H11NO3S/c1-2-16-10-6-4-3-5-8(10)11-13-9(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyAAXQOAAWMHGLBN-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid

2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 43140171) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID43140171
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C12H11NO3S/c1-2-16-10-6-4-3-5-8(10)11-13-9(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyAAXQOAAWMHGLBN-UHFFFAOYSA-N
XLogP2.91
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984485
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
2-(2-ethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690146
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097
2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 82676392
2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 43140171) is 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid is CCOc1ccccc1-c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AAXQOAAWMHGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-2-16-10-6-4-3-5-8(10)11-13-9(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 43140171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).