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

C15H18N2O2S — CID 116526403

IUPACethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(C)cc2C)sc1C
InChIInChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)20-15(17-13)16-12-7-6-9(2)8-10(12)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyIQEVXNVKXYELEV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.99
Rot. Bonds4

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

ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116526403) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116526403
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(C)cc2C)sc1C
InChIInChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)20-15(17-13)16-12-7-6-9(2)8-10(12)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyIQEVXNVKXYELEV-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-fluoro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526425
ethyl 2-(4-bromo-5-fluoro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527150
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789
ethyl 2-(2,6-difluoro-3-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527053
ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50764997
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 116526375
ethyl 5-methyl-2-[(4-methylbenzoyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 1018418
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (CID 116526403) is ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Nc2ccc(C)cc2C)sc1C.
What is the InChIKey of ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is IQEVXNVKXYELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)20-15(17-13)16-12-7-6-9(2)8-10(12)3/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).