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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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).