N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine

C16H22N2S — CID 61280133

IUPACN-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2c(C)cc(C)cc2C)nc1C
InChIInChI=1S/C16H22N2S/c1-9-7-10(2)14(11(3)8-9)16-18-13(5)15(19-16)12(4)17-6/h7-8,12,17H,1-6H3
InChIKeyXMFSGPPTMGRJHW-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.32
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 61280133) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID61280133
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2c(C)cc(C)cc2C)nc1C
InChIInChI=1S/C16H22N2S/c1-9-7-10(2)14(11(3)8-9)16-18-13(5)15(19-16)12(4)17-6/h7-8,12,17H,1-6H3
InChIKeyXMFSGPPTMGRJHW-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287591
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 66478870
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61281898
5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116887984
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 61282283
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
CID 63751752
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289017
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61282666

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine (CID 61280133) is N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(-c2c(C)cc(C)cc2C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XMFSGPPTMGRJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-9-7-10(2)14(11(3)8-9)16-18-13(5)15(19-16)12(4)17-6/h7-8,12,17H,1-6H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61280133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).