1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

C15H20N2OS — CID 105030338

IUPAC1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1ccc(OCC)cc1
InChIInChI=1S/C15H20N2OS/c1-3-17-15(9-14-10-16-11-19-14)12-5-7-13(8-6-12)18-4-2/h5-8,10-11,15,17H,3-4,9H2,1-2H3
InChIKeyODRUEGVMYFOXDT-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.44
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030338) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030338
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1ccc(OCC)cc1
InChIInChI=1S/C15H20N2OS/c1-3-17-15(9-14-10-16-11-19-14)12-5-7-13(8-6-12)18-4-2/h5-8,10-11,15,17H,3-4,9H2,1-2H3
InChIKeyODRUEGVMYFOXDT-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030608
N-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066
N-ethyl-2-(1,3-thiazol-5-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 112643482
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642771
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (CID 105030338) is 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is ODRUEGVMYFOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-17-15(9-14-10-16-11-19-14)12-5-7-13(8-6-12)18-4-2/h5-8,10-11,15,17H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).