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

C13H13NO3S — CID 4980399

IUPAC2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-3-17-10-7-5-4-6-9(10)12-14-8(2)11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUCUNEFDMMWZPFS-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.22
Rot. Bonds4

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

2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 4980399) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID4980399
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-3-17-10-7-5-4-6-9(10)12-14-8(2)11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUCUNEFDMMWZPFS-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

2-[2-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22685107
2-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20989348
4-methyl-2-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 22681892
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874789
2-(5-bromo-2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22682123
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 4980399) is 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCOc1ccccc1-c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UCUNEFDMMWZPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-10-7-5-4-6-9(10)12-14-8(2)11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-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-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 4980399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).