1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

C14H18N2S — CID 112642771

IUPAC1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCc1ccc(C(Cc2cncs2)NC)cc1
InChIInChI=1S/C14H18N2S/c1-3-11-4-6-12(7-5-11)14(15-2)8-13-9-16-10-17-13/h4-7,9-10,14-15H,3,8H2,1-2H3
InChIKeyGMRJOFJXPJQYLX-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112642771) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112642771
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCc1ccc(C(Cc2cncs2)NC)cc1
InChIInChI=1S/C14H18N2S/c1-3-11-4-6-12(7-5-11)14(15-2)8-13-9-16-10-17-13/h4-7,9-10,14-15H,3,8H2,1-2H3
InChIKeyGMRJOFJXPJQYLX-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
[1-(4-iodophenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332133
1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642936
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 112642771) is 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CCc1ccc(C(Cc2cncs2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is GMRJOFJXPJQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-11-4-6-12(7-5-11)14(15-2)8-13-9-16-10-17-13/h4-7,9-10,14-15H,3,8H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112642771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).