3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile

C12H18N4S2 — CID 103418714

IUPAC3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCN1CCN(c2sc(C#N)c(N)c2SC)CC1
InChIInChI=1S/C12H18N4S2/c1-3-15-4-6-16(7-5-15)12-11(17-2)10(14)9(8-13)18-12/h3-7,14H2,1-2H3
InChIKeyDTGYFPBWMVNLQB-UHFFFAOYSA-N
MW282.44 g/mol
LogP2.07
Rot. Bonds3

About 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile

3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile (PubChem CID 103418714) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile
PubChem CID103418714
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCN1CCN(c2sc(C#N)c(N)c2SC)CC1
InChIInChI=1S/C12H18N4S2/c1-3-15-4-6-16(7-5-15)12-11(17-2)10(14)9(8-13)18-12/h3-7,14H2,1-2H3
InChIKeyDTGYFPBWMVNLQB-UHFFFAOYSA-N
XLogP2.07
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103421393
3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile
CID 103419029
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103422654
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methylsulfanylthiophene-2-carbonitrile
CID 103506671
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile
CID 103418683
3-amino-5-[2-(4-methylpiperazin-1-yl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103432405
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420862
4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103418768
3-amino-5-[(4-methylpiperazin-1-yl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505866
3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
CID 102162761

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile (CID 103418714) is 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile is CCN1CCN(c2sc(C#N)c(N)c2SC)CC1.
What is the InChIKey of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile?
The InChIKey is DTGYFPBWMVNLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-3-15-4-6-16(7-5-15)12-11(17-2)10(14)9(8-13)18-12/h3-7,14H2,1-2H3.
What are the key properties of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile?
3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile has a molecular weight of 282.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile is sourced from PubChem (CID 103418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).