5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile

C9H12N2OS — CID 115905377

IUPAC5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(NCCO)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2OS/c1-7(11-4-5-12)9-3-2-8(6-10)13-9/h2-3,7,11-12H,4-5H2,1H3
InChIKeyCAWIGANQGDLTBO-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.26
Rot. Bonds4

About 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile

5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile (PubChem CID 115905377) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
PubChem CID115905377
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(NCCO)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2OS/c1-7(11-4-5-12)9-3-2-8(6-10)13-9/h2-3,7,11-12H,4-5H2,1H3
InChIKeyCAWIGANQGDLTBO-UHFFFAOYSA-N
XLogP1.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115869616
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115903591
5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
5-[1-(1-methylsulfanylbutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903739
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
CID 130852480
5-[1-(4-methoxybutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115869663
5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
CID 115929677
5-[1-[(3-methyloxolan-3-yl)amino]ethyl]thiophene-2-carbonitrile
CID 115922586

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile (CID 115905377) is 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile is CC(NCCO)c1ccc(C#N)s1.
What is the InChIKey of 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile?
The InChIKey is CAWIGANQGDLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7(11-4-5-12)9-3-2-8(6-10)13-9/h2-3,7,11-12H,4-5H2,1H3.
What are the key properties of 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile?
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile has a molecular weight of 196.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115905377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).