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

C13H13NO3S — CID 80503622

IUPAC2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)O)c(C)s2)cc1
InChIInChI=1S/C13H13NO3S/c1-3-17-10-6-4-9(5-7-10)12-14-11(13(15)16)8(2)18-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDYKJLIXWPXHEPX-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.22
Rot. Bonds4

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

2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 80503622) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID80503622
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)O)c(C)s2)cc1
InChIInChI=1S/C13H13NO3S/c1-3-17-10-6-4-9(5-7-10)12-14-11(13(15)16)8(2)18-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDYKJLIXWPXHEPX-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114937601
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 136927712
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 80503622) is 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid is CCOc1ccc(-c2nc(C(=O)O)c(C)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is DYKJLIXWPXHEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-10-6-4-9(5-7-10)12-14-11(13(15)16)8(2)18-12/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80503622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).