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

C14H18N2S — CID 82295484

IUPAC2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C14H18N2S/c1-10-4-5-11(2)12(8-10)13-9-16-14(17-13)6-7-15-3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeySTKWFIURFKDAEU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.19
Rot. Bonds4

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

2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 82295484) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID82295484
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C14H18N2S/c1-10-4-5-11(2)12(8-10)13-9-16-14(17-13)6-7-15-3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeySTKWFIURFKDAEU-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812054
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79143288
2-[5-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82296518
1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191130
N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 569504
2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 96680251
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
CID 112755713
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95474591
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 82295484) is 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2cc(C)ccc2C)s1.
What is the InChIKey of 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is STKWFIURFKDAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-5-11(2)12(8-10)13-9-16-14(17-13)6-7-15-3/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 82295484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).