4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline

C20H22ClN3S — CID 53272498

IUPAC4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(CNCCc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H22ClN3S/c1-24(2)18-9-5-16(6-10-18)19-13-23-20(25-19)14-22-12-11-15-3-7-17(21)8-4-15/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyYMNZDQGXFZJDJU-UHFFFAOYSA-N
MW371.94 g/mol
LogP4.86
Rot. Bonds7

About 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline

4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline (PubChem CID 53272498) has the molecular formula C20H22ClN3S and a molecular weight of 371.94 g/mol. Its IUPAC name is 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
PubChem CID53272498
Molecular FormulaC20H22ClN3S
Molecular Weight371.94 g/mol
Exact Mass371.12
IUPAC Name4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(CNCCc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H22ClN3S/c1-24(2)18-9-5-16(6-10-18)19-13-23-20(25-19)14-22-12-11-15-3-7-17(21)8-4-15/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyYMNZDQGXFZJDJU-UHFFFAOYSA-N
XLogP4.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.94
LogP ≤ 54.86
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

2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272786
4-[2-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272489
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272345
2-(4-chlorophenyl)-N-[[5-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273510
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 53272874
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 53273420
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline (CID 53272498) is 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc(CNCCc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is YMNZDQGXFZJDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3S/c1-24(2)18-9-5-16(6-10-18)19-13-23-20(25-19)14-22-12-11-15-3-7-17(21)8-4-15/h3-10,13,22H,11-12,14H2,1-2H3.
What are the key properties of 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 371.94 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 53272498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).