2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine

C15H20N2O3S — CID 63056243

IUPAC2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2cscn2)c(OC)c1
InChIInChI=1S/C15H20N2O3S/c1-18-6-5-16-8-12-3-4-14(15(7-12)19-2)20-9-13-10-21-11-17-13/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3
InChIKeyCUHMYMHXFUKCGS-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.47
Rot. Bonds9

About 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 63056243) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID63056243
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2cscn2)c(OC)c1
InChIInChI=1S/C15H20N2O3S/c1-18-6-5-16-8-12-3-4-14(15(7-12)19-2)20-9-13-10-21-11-17-13/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3
InChIKeyCUHMYMHXFUKCGS-UHFFFAOYSA-N
XLogP2.47
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]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-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
CID 63056072
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)indol-6-yl]methyl]ethanamine
CID 102917030
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 63057307
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
N-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-2-(4-methylphenyl)sulfanylethanamine
CID 9112544

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine (CID 63056243) is 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine is COCCNCc1ccc(OCc2cscn2)c(OC)c1.
What is the InChIKey of 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is CUHMYMHXFUKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-18-6-5-16-8-12-3-4-14(15(7-12)19-2)20-9-13-10-21-11-17-13/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 308.40 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63056243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).