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

C16H22N2OS — CID 43720389

IUPAC1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1csc(C)n1)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2OS/c1-5-15(13-6-8-14(19-4)9-7-13)17-11(2)16-10-20-12(3)18-16/h6-11,15,17H,5H2,1-4H3
InChIKeyNKXJYYSAJSEUIQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.26
Rot. Bonds6

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

1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 43720389) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID43720389
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1csc(C)n1)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2OS/c1-5-15(13-6-8-14(19-4)9-7-13)17-11(2)16-10-20-12(3)18-16/h6-11,15,17H,5H2,1-4H3
InChIKeyNKXJYYSAJSEUIQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 43720389) is 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCC(NC(C)c1csc(C)n1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is NKXJYYSAJSEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-15(13-6-8-14(19-4)9-7-13)17-11(2)16-10-20-12(3)18-16/h6-11,15,17H,5H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine 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-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).