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

C15H17NO2S — CID 114078260

IUPACmethyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cc(C)c(C)cc2C)nc1C
InChIInChI=1S/C15H17NO2S/c1-8-6-10(3)12(7-9(8)2)14-16-11(4)13(19-14)15(17)18-5/h6-7H,1-5H3
InChIKeyKBQPMWWAUYRQJZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.83
Rot. Bonds2

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

methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 114078260) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID114078260
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cc(C)c(C)cc2C)nc1C
InChIInChI=1S/C15H17NO2S/c1-8-6-10(3)12(7-9(8)2)14-16-11(4)13(19-14)15(17)18-5/h6-7H,1-5H3
InChIKeyKBQPMWWAUYRQJZ-UHFFFAOYSA-N
XLogP3.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
methyl 2-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115327900
methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130568901
methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 107124592
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 102842185
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 115327950
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
2-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886039
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484
methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
CID 86867474

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate (CID 114078260) is methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2cc(C)c(C)cc2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is KBQPMWWAUYRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-8-6-10(3)12(7-9(8)2)14-16-11(4)13(19-14)15(17)18-5/h6-7H,1-5H3.
What are the key properties of methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114078260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).