2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile

C8H9BrN2S — CID 130524690

IUPAC2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1cscc1Br
InChIInChI=1S/C8H9BrN2S/c1-2-11-8(3-10)6-4-12-5-7(6)9/h4-5,8,11H,2H2,1H3
InChIKeyBWLJEHWLEKDODB-UHFFFAOYSA-N
MW245.14 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile

2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile (PubChem CID 130524690) has the molecular formula C8H9BrN2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
PubChem CID130524690
Molecular FormulaC8H9BrN2S
Molecular Weight245.14 g/mol
Exact Mass243.97
IUPAC Name2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1cscc1Br
InChIInChI=1S/C8H9BrN2S/c1-2-11-8(3-10)6-4-12-5-7(6)9/h4-5,8,11H,2H2,1H3
InChIKeyBWLJEHWLEKDODB-UHFFFAOYSA-N
XLogP2.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
CID 79602709
1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine
CID 79602458
2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
CID 79601725
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
N-[(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methyl]ethanamine
CID 82810486
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
N-[(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105166720

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile?
The IUPAC name of 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile (CID 130524690) is 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile is CCNC(C#N)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile?
The InChIKey is BWLJEHWLEKDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c1-2-11-8(3-10)6-4-12-5-7(6)9/h4-5,8,11H,2H2,1H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile?
2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile has a molecular weight of 245.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile is sourced from PubChem (CID 130524690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).