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

C16H22N2OS — CID 115726973

IUPAC1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCCOc1ccccc1C(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C16H22N2OS/c1-5-19-15-9-7-6-8-14(15)12(3)18-13(4)16-17-10-11(2)20-16/h6-10,12-13,18H,5H2,1-4H3
InChIKeyZMYXYCSQSAOBHQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.26
Rot. Bonds6

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

1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 115726973) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID115726973
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCCOc1ccccc1C(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C16H22N2OS/c1-5-19-15-9-7-6-8-14(15)12(3)18-13(4)16-17-10-11(2)20-16/h6-10,12-13,18H,5H2,1-4H3
InChIKeyZMYXYCSQSAOBHQ-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115726933
1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 115726990
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726969
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680224
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 115726973) is 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is CCOc1ccccc1C(C)NC(C)c1ncc(C)s1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is ZMYXYCSQSAOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-15-9-7-6-8-14(15)12(3)18-13(4)16-17-10-11(2)20-16/h6-10,12-13,18H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115726973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).