N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine

C12H12Br2N2S — CID 113298104

IUPACN-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1sccc1Br
InChIInChI=1S/C12H12Br2N2S/c13-8-1-3-9(4-2-8)16-11(7-15)12-10(14)5-6-17-12/h1-6,11,16H,7,15H2
InChIKeyZZDSCCUIAZYYSI-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.39
Rot. Bonds4

About N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine

N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine (PubChem CID 113298104) has the molecular formula C12H12Br2N2S and a molecular weight of 376.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine
PubChem CID113298104
Molecular FormulaC12H12Br2N2S
Molecular Weight376.12 g/mol
Exact Mass373.91
IUPAC NameN-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1sccc1Br
InChIInChI=1S/C12H12Br2N2S/c13-8-1-3-9(4-2-8)16-11(7-15)12-10(14)5-6-17-12/h1-6,11,16H,7,15H2
InChIKeyZZDSCCUIAZYYSI-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine (CID 113298104) is N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine is NCC(Nc1ccc(Br)cc1)c1sccc1Br.
What is the InChIKey of N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine?
The InChIKey is ZZDSCCUIAZYYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2S/c13-8-1-3-9(4-2-8)16-11(7-15)12-10(14)5-6-17-12/h1-6,11,16H,7,15H2.
What are the key properties of N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine?
N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine has a molecular weight of 376.12 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 113298104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).