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

C14H18N2S — CID 82540549

IUPACN-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(C)nc1-c1ccccc1C
InChIInChI=1S/C14H18N2S/c1-9-7-5-6-8-12(9)13-14(10(2)15-4)17-11(3)16-13/h5-8,10,15H,1-4H3
InChIKeyQXJRFWJGCYQVHT-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.71
Rot. Bonds3

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

N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82540549) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82540549
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(C)nc1-c1ccccc1C
InChIInChI=1S/C14H18N2S/c1-9-7-5-6-8-12(9)13-14(10(2)15-4)17-11(3)16-13/h5-8,10,15H,1-4H3
InChIKeyQXJRFWJGCYQVHT-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82540658
1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 82540472
5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82542153
4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540427
N-methyl-1-[2-methyl-4-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540215
N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61193660
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 114033693
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61282666
N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
CID 61280131
N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine
CID 82540131
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine (CID 82540549) is N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(C)nc1-c1ccccc1C.
What is the InChIKey of N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QXJRFWJGCYQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-7-5-6-8-12(9)13-14(10(2)15-4)17-11(3)16-13/h5-8,10,15H,1-4H3.
What are the key properties of N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82540549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).