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

C13H14Br2N2S — CID 105015176

IUPAC1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H14Br2N2S/c1-2-16-12(8-13-17-5-6-18-13)10-7-9(14)3-4-11(10)15/h3-7,12,16H,2,8H2,1H3
InChIKeyDQDSMXKXUCRVAS-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.56
Rot. Bonds5

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

1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015176) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015176
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC Name1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H14Br2N2S/c1-2-16-12(8-13-17-5-6-18-13)10-7-9(14)3-4-11(10)15/h3-7,12,16H,2,8H2,1H3
InChIKeyDQDSMXKXUCRVAS-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

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Related Compounds

N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014961
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169267
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169297
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015167
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
1-(2,5-dibromophenyl)-N-ethylbut-3-yn-1-amine
CID 114977656

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine (CID 105015176) is 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is DQDSMXKXUCRVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-2-16-12(8-13-17-5-6-18-13)10-7-9(14)3-4-11(10)15/h3-7,12,16H,2,8H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-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-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).