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

C14H15NO2S — CID 115422349

IUPACmethyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(C)c2C)sc1C
InChIInChI=1S/C14H15NO2S/c1-8-6-5-7-11(9(8)2)13-15-12(10(3)18-13)14(16)17-4/h5-7H,1-4H3
InChIKeyCCHDAYRCCYOWGN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.52
Rot. Bonds2

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

methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115422349) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115422349
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(C)c2C)sc1C
InChIInChI=1S/C14H15NO2S/c1-8-6-5-7-11(9(8)2)13-15-12(10(3)18-13)14(16)17-4/h5-7H,1-4H3
InChIKeyCCHDAYRCCYOWGN-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-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

methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
CID 115422841
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 5-amino-2-(2-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199605
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
methyl 5-methyl-2-(2-methyl-5-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 115422913
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953679
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115959773

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 115422349) is methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cccc(C)c2C)sc1C.
What is the InChIKey of methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is CCHDAYRCCYOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-6-5-7-11(9(8)2)13-15-12(10(3)18-13)14(16)17-4/h5-7H,1-4H3.
What are the key properties of methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).