1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C11H12Br2N2S2 — CID 107968485

IUPAC1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cc(Br)sc1Br
InChIInChI=1S/C11H12Br2N2S2/c1-6-15-7(5-16-6)3-9(14-2)8-4-10(12)17-11(8)13/h4-5,9,14H,3H2,1-2H3
InChIKeyOXUBRRQPIZZIKZ-UHFFFAOYSA-N
MW396.17 g/mol
LogP4.54
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 107968485) has the molecular formula C11H12Br2N2S2 and a molecular weight of 396.17 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID107968485
Molecular FormulaC11H12Br2N2S2
Molecular Weight396.17 g/mol
Exact Mass393.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cc(Br)sc1Br
InChIInChI=1S/C11H12Br2N2S2/c1-6-15-7(5-16-6)3-9(14-2)8-4-10(12)17-11(8)13/h4-5,9,14H,3H2,1-2H3
InChIKeyOXUBRRQPIZZIKZ-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-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-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997166
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 107968485) is 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is OXUBRRQPIZZIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2S2/c1-6-15-7(5-16-6)3-9(14-2)8-4-10(12)17-11(8)13/h4-5,9,14H,3H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 396.17 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 107968485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).