1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

C13H14Br2N2S — CID 107946640

IUPAC1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2N2S/c1-2-17-13(6-10-7-16-8-18-10)11-4-3-9(14)5-12(11)15/h3-5,7-8,13,17H,2,6H2,1H3
InChIKeyATTMSAJBZCTETL-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.56
Rot. Bonds5

About 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 107946640) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID107946640
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC Name1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2N2S/c1-2-17-13(6-10-7-16-8-18-10)11-4-3-9(14)5-12(11)15/h3-5,7-8,13,17H,2,6H2,1H3
InChIKeyATTMSAJBZCTETL-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-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

1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114894876
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107968948
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114887192
N-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066
N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 115979280
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (CID 107946640) is 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is ATTMSAJBZCTETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-2-17-13(6-10-7-16-8-18-10)11-4-3-9(14)5-12(11)15/h3-5,7-8,13,17H,2,6H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 390.14 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 107946640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).