3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile

C9H13N3S2 — CID 103420862

IUPAC3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCN(C)c1sc(C#N)c(N)c1SC
InChIInChI=1S/C9H13N3S2/c1-4-12(2)9-8(13-3)7(11)6(5-10)14-9/h4,11H2,1-3H3
InChIKeyMGBUFKNJCOQCOG-UHFFFAOYSA-N
MW227.36 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile

3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile (PubChem CID 103420862) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
PubChem CID103420862
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC Name3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCN(C)c1sc(C#N)c(N)c1SC
InChIInChI=1S/C9H13N3S2/c1-4-12(2)9-8(13-3)7(11)6(5-10)14-9/h4,11H2,1-3H3
InChIKeyMGBUFKNJCOQCOG-UHFFFAOYSA-N
XLogP2.38
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-[ethyl(methyl)amino]-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-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420340
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103420922
3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103418165
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile
CID 103418714
3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 103428094
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile
CID 103509401
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103417947
3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile
CID 103419029
3-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103421393
3-amino-5-(5-methoxypentylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 114132062
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile (CID 103420862) is 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile is CCN(C)c1sc(C#N)c(N)c1SC.
What is the InChIKey of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
The InChIKey is MGBUFKNJCOQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-4-12(2)9-8(13-3)7(11)6(5-10)14-9/h4,11H2,1-3H3.
What are the key properties of 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile?
3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile has a molecular weight of 227.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile is sourced from PubChem (CID 103420862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).