4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid

C15H18N2O2S — CID 82065165

IUPAC4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Nc2c(C)cc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-5-11-13(14(18)19)20-15(16-11)17-12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMZBQMHXSJPOKFX-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.07
Rot. Bonds4

About 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid

4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82065165) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID82065165
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Nc2c(C)cc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-5-11-13(14(18)19)20-15(16-11)17-12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMZBQMHXSJPOKFX-UHFFFAOYSA-N
XLogP4.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-(2,4,6-trimethylanilino)-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

4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696709
4-ethyl-2-[(6-iodo-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 89258322
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
2-(2,5-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065210
methyl 4-ethyl-2-(2,4,6-trichloroanilino)-1,3-thiazole-5-carboxylate
CID 18672263
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760915
2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61477397
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid (CID 82065165) is 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid is CCc1nc(Nc2c(C)cc(C)cc2C)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MZBQMHXSJPOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-11-13(14(18)19)20-15(16-11)17-12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82065165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).