3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile

C10H12N4S — CID 103423501

IUPAC3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
SMILESCCC(C)Nc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C10H12N4S/c1-3-6(2)14-10-7(4-11)9(13)8(5-12)15-10/h6,14H,3,13H2,1-2H3
InChIKeyNAAJDGIZLZEARI-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.28
Rot. Bonds3

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

3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile (PubChem CID 103423501) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
PubChem CID103423501
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
SMILESCCC(C)Nc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C10H12N4S/c1-3-6(2)14-10-7(4-11)9(13)8(5-12)15-10/h6,14H,3,13H2,1-2H3
InChIKeyNAAJDGIZLZEARI-UHFFFAOYSA-N
XLogP2.28
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-phenylbutan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103508812
3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
CID 103425366
3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2,4-dicarbonitrile
CID 106044905
3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993
3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103425081
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile
CID 103425750
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 106840057
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
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506256

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile (CID 103423501) is 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile is CCC(C)Nc1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile?
The InChIKey is NAAJDGIZLZEARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-3-6(2)14-10-7(4-11)9(13)8(5-12)15-10/h6,14H,3,13H2,1-2H3.
What are the key properties of 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile?
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile has a molecular weight of 220.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103423501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).