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

C14H15NO2S — CID 113459536

IUPAC4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1ccccc1-c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C14H15NO2S/c1-3-9-7-5-6-8-10(9)13-15-11(4-2)12(18-13)14(16)17/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyHVOBGDVZVYRCCR-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.63
Rot. Bonds4

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

4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 113459536) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID113459536
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1ccccc1-c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C14H15NO2S/c1-3-9-7-5-6-8-10(9)13-15-11(4-2)12(18-13)14(16)17/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyHVOBGDVZVYRCCR-UHFFFAOYSA-N
XLogP3.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107935411
4-ethyl-2-[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 22685652
4-ethyl-2-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-5-carboxylic acid
CID 20987781
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
4-ethyl-2-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20985225
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20990915
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840857
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
4-ethyl-2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991114
4-ethyl-2-[4-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 22683211

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid (CID 113459536) is 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid is CCc1ccccc1-c1nc(CC)c(C(=O)O)s1.
What is the InChIKey of 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HVOBGDVZVYRCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-9-7-5-6-8-10(9)13-15-11(4-2)12(18-13)14(16)17/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 261.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 113459536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).