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

C16H22N2S — CID 82431139

IUPACN-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCc2ccccc2)nc1CC
InChIInChI=1S/C16H22N2S/c1-3-14-15(12-17-4-2)19-16(18-14)11-10-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeyMXHNRTNHEQRECI-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.60
Rot. Bonds7

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

N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82431139) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82431139
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCc2ccccc2)nc1CC
InChIInChI=1S/C16H22N2S/c1-3-14-15(12-17-4-2)19-16(18-14)11-10-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeyMXHNRTNHEQRECI-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
3-[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82431158
[2-(2-phenylethyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82433468
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
N-[[2-[(2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841272
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82428035
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
N-[[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428213
N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430785
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 82431139) is N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCc2ccccc2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MXHNRTNHEQRECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-14-15(12-17-4-2)19-16(18-14)11-10-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82431139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).