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

C15H18N2O2S — CID 893133

IUPACethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(CC)cc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-4-11-6-8-12(9-7-11)16-15-17-13(10(3)20-15)14(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyUIJBPHBSWILSKH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.93
Rot. Bonds5

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

ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 893133) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID893133
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(CC)cc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-4-11-6-8-12(9-7-11)16-15-17-13(10(3)20-15)14(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyUIJBPHBSWILSKH-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

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Related Compounds

ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 116526375
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
ethyl 2-(4-fluoro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526425
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526403
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
ethyl 2-(2,6-difluoro-3-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527053
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (CID 893133) is ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Nc2ccc(CC)cc2)sc1C.
What is the InChIKey of ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is UIJBPHBSWILSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-11-6-8-12(9-7-11)16-15-17-13(10(3)20-15)14(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(4-ethylanilino)-5-methyl-1,3-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 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 893133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).