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

C12H12Br2N2S — CID 114019360

IUPAC1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H12Br2N2S/c1-15-12(5-9-6-16-7-17-9)10-3-2-8(13)4-11(10)14/h2-4,6-7,12,15H,5H2,1H3
InChIKeyGCBABFCELKSUJI-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.17
Rot. Bonds4

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

1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 114019360) has the molecular formula C12H12Br2N2S and a molecular weight of 376.12 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID114019360
Molecular FormulaC12H12Br2N2S
Molecular Weight376.12 g/mol
Exact Mass373.91
IUPAC Name1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H12Br2N2S/c1-15-12(5-9-6-16-7-17-9)10-3-2-8(13)4-11(10)14/h2-4,6-7,12,15H,5H2,1H3
InChIKeyGCBABFCELKSUJI-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 113398626
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642936
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114894876
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030273

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 114019360) is 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is GCBABFCELKSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2S/c1-15-12(5-9-6-16-7-17-9)10-3-2-8(13)4-11(10)14/h2-4,6-7,12,15H,5H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 376.12 g/mol, XLogP of 4.17, 4 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-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).