N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine

C15H19FN2O2S — CID 82516321

IUPACN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1csc(CCOc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O2S/c1-19-9-7-17-10-13-11-21-15(18-13)6-8-20-14-4-2-12(16)3-5-14/h2-5,11,17H,6-10H2,1H3
InChIKeyZOJWTSJYRFPLPS-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.64
Rot. Bonds9

About N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine

N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 82516321) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID82516321
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1csc(CCOc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O2S/c1-19-9-7-17-10-13-11-21-15(18-13)6-8-20-14-4-2-12(16)3-5-14/h2-5,11,17H,6-10H2,1H3
InChIKeyZOJWTSJYRFPLPS-UHFFFAOYSA-N
XLogP2.64
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine 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

N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516213
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193935
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
N-[[2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82516537
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62543889
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 24714242

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine (CID 82516321) is N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1csc(CCOc2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ZOJWTSJYRFPLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-19-9-7-17-10-13-11-21-15(18-13)6-8-20-14-4-2-12(16)3-5-14/h2-5,11,17H,6-10H2,1H3.
What are the key properties of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine?
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 310.39 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 82516321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).