1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C15H20N2S — CID 82540472

IUPAC1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H20N2S/c1-9-6-7-13(8-10(9)2)14-15(11(3)16-5)18-12(4)17-14/h6-8,11,16H,1-5H3
InChIKeySAFMZIRUAMKCMQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.02
Rot. Bonds3

About 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 82540472) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID82540472
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H20N2S/c1-9-6-7-13(8-10(9)2)14-15(11(3)16-5)18-12(4)17-14/h6-8,11,16H,1-5H3
InChIKeySAFMZIRUAMKCMQ-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540549
N-methyl-1-[2-methyl-4-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540215
N-methyl-1-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82540658
4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82128691
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-methylethanamine
CID 43287906
4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540359
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
CID 5020924
1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 61033915
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-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82542174
2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63480343

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 82540472) is 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(C)nc1-c1ccc(C)c(C)c1.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is SAFMZIRUAMKCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-9-6-7-13(8-10(9)2)14-15(11(3)16-5)18-12(4)17-14/h6-8,11,16H,1-5H3.
What are the key properties of 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 82540472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).