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

C15H20N2OS — CID 55149651

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C15H20N2OS/c1-10(15-11(2)17-12(3)19-15)16-9-13-6-5-7-14(8-13)18-4/h5-8,10,16H,9H2,1-4H3
InChIKeyQHHZXWRHMLQACH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.62
Rot. Bonds5

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 55149651) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID55149651
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C15H20N2OS/c1-10(15-11(2)17-12(3)19-15)16-9-13-6-5-7-14(8-13)18-4/h5-8,10,16H,9H2,1-4H3
InChIKeyQHHZXWRHMLQACH-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 55149651) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNC(C)c2sc(C)nc2C)c1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is QHHZXWRHMLQACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(15-11(2)17-12(3)19-15)16-9-13-6-5-7-14(8-13)18-4/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 55149651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).