N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline

C15H12Cl2N2S — CID 43082359

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C15H12Cl2N2S/c1-9(18-12-7-6-10(16)8-11(12)17)15-19-13-4-2-3-5-14(13)20-15/h2-9,18H,1H3
InChIKeyGLGXGYAESHTVKK-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.78
Rot. Bonds3

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline

N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline (PubChem CID 43082359) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
PubChem CID43082359
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C15H12Cl2N2S/c1-9(18-12-7-6-10(16)8-11(12)17)15-19-13-4-2-3-5-14(13)20-15/h2-9,18H,1H3
InChIKeyGLGXGYAESHTVKK-UHFFFAOYSA-N
XLogP5.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline 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-[1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-4-fluoroaniline
CID 43086158
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-chloro-2-methylaniline
CID 43078348
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-bromo-2-fluoroaniline
CID 43555330
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-chloro-3-fluoroaniline
CID 43721521
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4-dichloroaniline
CID 114909583
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81374029
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-4-methylaniline
CID 60930843
1-(1,3-benzothiazol-2-yl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 60671755
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-bromo-4-fluoroaniline
CID 104775729
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
CID 63329441

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline (CID 43082359) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline is CC(Nc1ccc(Cl)cc1Cl)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline?
The InChIKey is GLGXGYAESHTVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-9(18-12-7-6-10(16)8-11(12)17)15-19-13-4-2-3-5-14(13)20-15/h2-9,18H,1H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline has a molecular weight of 323.25 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline is sourced from PubChem (CID 43082359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).