2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine

C13H16N2OS — CID 62071098

IUPAC2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1ccccc1)c1nccs1
InChIInChI=1S/C13H16N2OS/c1-16-9-7-14-12(13-15-8-10-17-13)11-5-3-2-4-6-11/h2-6,8,10,12,14H,7,9H2,1H3
InChIKeyCVUBDXHJIRNOAA-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.47
Rot. Bonds6

About 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine

2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62071098) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62071098
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1ccccc1)c1nccs1
InChIInChI=1S/C13H16N2OS/c1-16-9-7-14-12(13-15-8-10-17-13)11-5-3-2-4-6-11/h2-6,8,10,12,14H,7,9H2,1H3
InChIKeyCVUBDXHJIRNOAA-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[phenyl(1,3-thiazol-2-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

Related Compounds

2-methoxy-N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62544424
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 81155173
N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 65101059
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
CID 124570142
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine (CID 62071098) is 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine is COCCNC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is CVUBDXHJIRNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-9-7-14-12(13-15-8-10-17-13)11-5-3-2-4-6-11/h2-6,8,10,12,14H,7,9H2,1H3.
What are the key properties of 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62071098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).