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

C15H20N2OS — CID 115726969

IUPAC1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-10-9-16-15(19-10)12(3)17-11(2)13-5-7-14(18-4)8-6-13/h5-9,11-12,17H,1-4H3
InChIKeyZEALLJCYZYFIQH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.87
Rot. Bonds5

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

1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 115726969) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID115726969
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-10-9-16-15(19-10)12(3)17-11(2)13-5-7-14(18-4)8-6-13/h5-9,11-12,17H,1-4H3
InChIKeyZEALLJCYZYFIQH-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 115726969) is 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is COc1ccc(C(C)NC(C)c2ncc(C)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is ZEALLJCYZYFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-9-16-15(19-10)12(3)17-11(2)13-5-7-14(18-4)8-6-13/h5-9,11-12,17H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115726969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).