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

C16H22N2OS — CID 114366259

IUPACN-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2ccccc2C)nc1COC
InChIInChI=1S/C16H22N2OS/c1-4-17-10-15-14(11-19-3)18-16(20-15)9-13-8-6-5-7-12(13)2/h5-8,17H,4,9-11H2,1-3H3
InChIKeyAAIZDXUJYZGGBW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.30
Rot. Bonds7

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

N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366259) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366259
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2ccccc2C)nc1COC
InChIInChI=1S/C16H22N2OS/c1-4-17-10-15-14(11-19-3)18-16(20-15)9-13-8-6-5-7-12(13)2/h5-8,17H,4,9-11H2,1-3H3
InChIKeyAAIZDXUJYZGGBW-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]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 N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366259) is N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(Cc2ccccc2C)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is AAIZDXUJYZGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-17-10-15-14(11-19-3)18-16(20-15)9-13-8-6-5-7-12(13)2/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).