ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate

C15H18N2O2S — CID 79375573

IUPACethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1ccc(CC)cc1
InChIInChI=1S/C15H18N2O2S/c1-4-11-6-8-12(9-7-11)16-14-13(10(3)17-20-14)15(18)19-5-2/h6-9,16H,4-5H2,1-3H3
InChIKeyLSAFVRJCEYSQTL-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.93
Rot. Bonds5

About ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79375573) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79375573
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1ccc(CC)cc1
InChIInChI=1S/C15H18N2O2S/c1-4-11-6-8-12(9-7-11)16-14-13(10(3)17-20-14)15(18)19-5-2/h6-9,16H,4-5H2,1-3H3
InChIKeyLSAFVRJCEYSQTL-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate 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

1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375648
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080
ethyl 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 114841042
ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79375656
ethyl 3-methyl-5-(2,4,5-trichloroanilino)-1,2-thiazole-4-carboxylate
CID 79370989
ethyl 5-(3-fluoro-2-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364095
ethyl 5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79371007
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371639
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate (CID 79375573) is ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1Nc1ccc(CC)cc1.
What is the InChIKey of ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is LSAFVRJCEYSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-11-6-8-12(9-7-11)16-14-13(10(3)17-20-14)15(18)19-5-2/h6-9,16H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79375573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).