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

C15H20N2S — CID 82090307

IUPAC2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCc1cc(C)c(Cc2csc(CCN)n2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-6-11(2)14(12(3)7-10)8-13-9-18-15(17-13)4-5-16/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyMKJKUHJLORCITO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.16
Rot. Bonds4

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

2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 82090307) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID82090307
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCc1cc(C)c(Cc2csc(CCN)n2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-6-11(2)14(12(3)7-10)8-13-9-18-15(17-13)4-5-16/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyMKJKUHJLORCITO-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82086302
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
CID 66388647
[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol
CID 82154523
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine
CID 66390766
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66390760
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,5-dimethylphenyl)ethanone
CID 116585354
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 82090307) is 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is Cc1cc(C)c(Cc2csc(CCN)n2)c(C)c1.
What is the InChIKey of 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is MKJKUHJLORCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-11(2)14(12(3)7-10)8-13-9-18-15(17-13)4-5-16/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82090307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).