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

C19H20N2OS — CID 53271692

IUPAC2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C19H20N2OS/c1-22-17-9-7-15(8-10-17)11-12-20-14-19-21-13-18(23-19)16-5-3-2-4-6-16/h2-10,13,20H,11-12,14H2,1H3
InChIKeyADTBTVPVDKGPGQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.15
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 53271692) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID53271692
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C19H20N2OS/c1-22-17-9-7-15(8-10-17)11-12-20-14-19-21-13-18(23-19)16-5-3-2-4-6-16/h2-10,13,20H,11-12,14H2,1H3
InChIKeyADTBTVPVDKGPGQ-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 53272874
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53271955
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931
2-(3,4-dimethoxyphenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272828
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468
N-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272360

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 53271692) is 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is COc1ccc(CCNCc2ncc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is ADTBTVPVDKGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-22-17-9-7-15(8-10-17)11-12-20-14-19-21-13-18(23-19)16-5-3-2-4-6-16/h2-10,13,20H,11-12,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 324.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 53271692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).