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

C15H18N2O2S — CID 757687

IUPACethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C
InChIInChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-6-9(2)8-10(12)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyLDNVOEDLYNMRGW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.99
Rot. Bonds4

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

ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 757687) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID757687
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C
InChIInChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-6-9(2)8-10(12)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyLDNVOEDLYNMRGW-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

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

methyl N-{4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate
CID 21137651
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-[(4-bromophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 947453
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 2-((3-chlorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 2731542
1-[4-Methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 5333115
2-[N'-(4-Dimethylamino-benzylidene)-hydrazino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 9582640
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118
Ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2472130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate (CID 757687) is ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C.
What is the InChIKey of ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is LDNVOEDLYNMRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-6-9(2)8-10(12)3/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-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)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 757687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).