3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile

C11H14N4S — CID 103425366

IUPAC3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
SMILESCCCCCNc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C11H14N4S/c1-2-3-4-5-15-11-8(6-12)10(14)9(7-13)16-11/h15H,2-5,14H2,1H3
InChIKeyUGPXTYXNVSSVEJ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.68
Rot. Bonds5

About 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile

3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile (PubChem CID 103425366) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
PubChem CID103425366
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
SMILESCCCCCNc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C11H14N4S/c1-2-3-4-5-15-11-8(6-12)10(14)9(7-13)16-11/h15H,2-5,14H2,1H3
InChIKeyUGPXTYXNVSSVEJ-UHFFFAOYSA-N
XLogP2.68
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993
3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2,4-dicarbonitrile
CID 106044905
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile
CID 103425718
3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103425980
4-amino-5-propanoyl-2-(5,5,5-trifluoropentylamino)thiophene-3-carbonitrile
CID 103506050
3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103431171
3-amino-5-(5-methoxypentylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 114132062
3-amino-5-[3-(dimethylamino)propylamino]-4-methoxythiophene-2-carbonitrile
CID 103426197

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile (CID 103425366) is 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile is CCCCCNc1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile?
The InChIKey is UGPXTYXNVSSVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-3-4-5-15-11-8(6-12)10(14)9(7-13)16-11/h15H,2-5,14H2,1H3.
What are the key properties of 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile?
3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile has a molecular weight of 234.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103425366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).