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

C19H19Cl2N3S — CID 53272345

IUPAC4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(CNCc3ccc(Cl)c(Cl)c3)s2)cc1
InChIInChI=1S/C19H19Cl2N3S/c1-24(2)15-6-4-14(5-7-15)18-11-23-19(25-18)12-22-10-13-3-8-16(20)17(21)9-13/h3-9,11,22H,10,12H2,1-2H3
InChIKeyOIXIGWMQWUTWNU-UHFFFAOYSA-N
MW392.36 g/mol
LogP5.47
Rot. Bonds6

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

4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline (PubChem CID 53272345) has the molecular formula C19H19Cl2N3S and a molecular weight of 392.36 g/mol. Its IUPAC name is 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
PubChem CID53272345
Molecular FormulaC19H19Cl2N3S
Molecular Weight392.36 g/mol
Exact Mass391.07
IUPAC Name4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(CNCc3ccc(Cl)c(Cl)c3)s2)cc1
InChIInChI=1S/C19H19Cl2N3S/c1-24(2)15-6-4-14(5-7-15)18-11-23-19(25-18)12-22-10-13-3-8-16(20)17(21)9-13/h3-9,11,22H,10,12H2,1-2H3
InChIKeyOIXIGWMQWUTWNU-UHFFFAOYSA-N
XLogP5.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083
4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272498
4-[2-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272489
1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272624
1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 112755658
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine
CID 44820582
2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272786
1-(1,3-benzodioxol-5-yl)-N-[[5-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272132
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28538578

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline (CID 53272345) is 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc(CNCc3ccc(Cl)c(Cl)c3)s2)cc1.
What is the InChIKey of 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is OIXIGWMQWUTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3S/c1-24(2)15-6-4-14(5-7-15)18-11-23-19(25-18)12-22-10-13-3-8-16(20)17(21)9-13/h3-9,11,22H,10,12H2,1-2H3.
What are the key properties of 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 392.36 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 53272345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).