2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile

C13H10Br2N2S — CID 114139092

IUPAC2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ccc(Br)s2)cc1Br
InChIInChI=1S/C13H10Br2N2S/c14-12-7-10(2-1-9(12)8-16)17-6-5-11-3-4-13(15)18-11/h1-4,7,17H,5-6H2
InChIKeyNARFCWASRLYSIZ-UHFFFAOYSA-N
MW386.11 g/mol
LogP4.80
Rot. Bonds4

About 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile

2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile (PubChem CID 114139092) has the molecular formula C13H10Br2N2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
PubChem CID114139092
Molecular FormulaC13H10Br2N2S
Molecular Weight386.11 g/mol
Exact Mass383.89
IUPAC Name2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ccc(Br)s2)cc1Br
InChIInChI=1S/C13H10Br2N2S/c14-12-7-10(2-1-9(12)8-16)17-6-5-11-3-4-13(15)18-11/h1-4,7,17H,5-6H2
InChIKeyNARFCWASRLYSIZ-UHFFFAOYSA-N
XLogP4.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 106037302
4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 114139101
3-[2-(5-bromothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 114139098
4-[2-(5-bromothiophen-2-yl)ethylamino]naphthalene-1-carbonitrile
CID 106035137
2-bromo-4-(2-methoxyethylamino)benzonitrile
CID 107275717
4-(4-aminobutylamino)-2-bromobenzonitrile
CID 107278491
2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 106037307
2-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]benzonitrile
CID 112736065
2-bromo-4-(3-methylsulfanylpropylamino)benzonitrile
CID 107276396
2-bromo-4-[3-(ethylamino)propylamino]benzonitrile
CID 107280607
2-bromo-4-(4-methoxybutylamino)benzonitrile
CID 107276201
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
CID 106038698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile?
The IUPAC name of 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile (CID 114139092) is 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile is N#Cc1ccc(NCCc2ccc(Br)s2)cc1Br.
What is the InChIKey of 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile?
The InChIKey is NARFCWASRLYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2S/c14-12-7-10(2-1-9(12)8-16)17-6-5-11-3-4-13(15)18-11/h1-4,7,17H,5-6H2.
What are the key properties of 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile?
2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile has a molecular weight of 386.11 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 114139092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).