3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile

C11H13N5S — CID 103419314

IUPAC3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
SMILESCN1CCN(c2sc(C#N)c(N)c2C#N)CC1
InChIInChI=1S/C11H13N5S/c1-15-2-4-16(5-3-15)11-8(6-12)10(14)9(7-13)17-11/h2-5,14H2,1H3
InChIKeyRLTWWJJWIAYHNZ-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.83
Rot. Bonds1

About 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile

3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile (PubChem CID 103419314) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
PubChem CID103419314
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
SMILESCN1CCN(c2sc(C#N)c(N)c2C#N)CC1
InChIInChI=1S/C11H13N5S/c1-15-2-4-16(5-3-15)11-8(6-12)10(14)9(7-13)17-11/h2-5,14H2,1H3
InChIKeyRLTWWJJWIAYHNZ-UHFFFAOYSA-N
XLogP0.83
TPSA80.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile (CID 103419314) is 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile is CN1CCN(c2sc(C#N)c(N)c2C#N)CC1.
What is the InChIKey of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile?
The InChIKey is RLTWWJJWIAYHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-15-2-4-16(5-3-15)11-8(6-12)10(14)9(7-13)17-11/h2-5,14H2,1H3.
What are the key properties of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile?
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile has a molecular weight of 247.33 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103419314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).