N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine

C20H22N2O2S — CID 169266782

IUPACN-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine
SMILESCOc1cc(-c2cscn2)c(OC)cc1CCNCc1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-23-19-11-17(18-13-25-14-22-18)20(24-2)10-16(19)8-9-21-12-15-6-4-3-5-7-15/h3-7,10-11,13-14,21H,8-9,12H2,1-2H3
InChIKeyLJFXLFUTILESFX-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.16
Rot. Bonds8

About N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine

N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine (PubChem CID 169266782) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine
PubChem CID169266782
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine
SMILESCOc1cc(-c2cscn2)c(OC)cc1CCNCc1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-23-19-11-17(18-13-25-14-22-18)20(24-2)10-16(19)8-9-21-12-15-6-4-3-5-7-15/h3-7,10-11,13-14,21H,8-9,12H2,1-2H3
InChIKeyLJFXLFUTILESFX-UHFFFAOYSA-N
XLogP4.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxy-5-propylphenyl)-1,3-thiazole
CID 3562568
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
2-[6-[2-methoxy-4-[(2-phenylethylamino)methyl]phenyl]-2-pyridinyl]isoindole-1,3-dione
CID 18414475
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66532263
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenylethanamine
CID 2200147
N-[(5-phenylthiophen-2-yl)methyl]-2-(2,4,5-trimethoxyphenyl)ethanamine
CID 166130338
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
CID 97033863
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine?
The IUPAC name of N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine (CID 169266782) is N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine?
The canonical SMILES for N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine is COc1cc(-c2cscn2)c(OC)cc1CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine?
The InChIKey is LJFXLFUTILESFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-23-19-11-17(18-13-25-14-22-18)20(24-2)10-16(19)8-9-21-12-15-6-4-3-5-7-15/h3-7,10-11,13-14,21H,8-9,12H2,1-2H3.
What are the key properties of N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine?
N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine has a molecular weight of 354.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2,5-dimethoxy-4-(1,3-thiazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 169266782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).