4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid

C15H17NO2S — CID 83971326

IUPAC4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CCc2ccc(C)cc2)sc1C(=O)O
InChIInChI=1S/C15H17NO2S/c1-3-12-14(15(17)18)19-13(16-12)9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyHRILHVSPOOFSNR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.50
Rot. Bonds5

About 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid

4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 83971326) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID83971326
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CCc2ccc(C)cc2)sc1C(=O)O
InChIInChI=1S/C15H17NO2S/c1-3-12-14(15(17)18)19-13(16-12)9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyHRILHVSPOOFSNR-UHFFFAOYSA-N
XLogP3.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 83969610
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760915
4-[(4-chlorophenyl)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226937
4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylic acid
CID 113459171
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
4-ethyl-2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82154201
4-ethyl-2-[3-(2-ethylphenoxy)propyl]-1,3-thiazole-5-carboxylic acid
CID 94760604
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid (CID 83971326) is 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid is CCc1nc(CCc2ccc(C)cc2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is HRILHVSPOOFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-12-14(15(17)18)19-13(16-12)9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83971326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).