N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

C12H12Cl2N2S — CID 63598627

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1Cl)c1nccs1
InChIInChI=1S/C12H12Cl2N2S/c1-8(12-15-4-5-17-12)16-7-9-2-3-10(13)6-11(9)14/h2-6,8,16H,7H2,1H3
InChIKeyUEEQTKDUEYXMMA-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.30
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63598627) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID63598627
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1Cl)c1nccs1
InChIInChI=1S/C12H12Cl2N2S/c1-8(12-15-4-5-17-12)16-7-9-2-3-10(13)6-11(9)14/h2-6,8,16H,7H2,1H3
InChIKeyUEEQTKDUEYXMMA-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine 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-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 113348876
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
1-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139
5-fluoro-N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77045189
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
CID 114480389
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 102835971

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 63598627) is N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1ccc(Cl)cc1Cl)c1nccs1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is UEEQTKDUEYXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-8(12-15-4-5-17-12)16-7-9-2-3-10(13)6-11(9)14/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 287.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63598627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).