3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile

C9H7F3N4S — CID 103509401

IUPAC3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile
SMILESCN(CC(F)(F)F)c1sc(C#N)c(N)c1C#N
InChIInChI=1S/C9H7F3N4S/c1-16(4-9(10,11)12)8-5(2-13)7(15)6(3-14)17-8/h4,15H2,1H3
InChIKeyRZADEHXHSWIQLF-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.07
Rot. Bonds2

About 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile

3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile (PubChem CID 103509401) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile
PubChem CID103509401
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile
SMILESCN(CC(F)(F)F)c1sc(C#N)c(N)c1C#N
InChIInChI=1S/C9H7F3N4S/c1-16(4-9(10,11)12)8-5(2-13)7(15)6(3-14)17-8/h4,15H2,1H3
InChIKeyRZADEHXHSWIQLF-UHFFFAOYSA-N
XLogP2.07
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile 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-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509456
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103420922
3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420862
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422217
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
CID 103421295
3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420340
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103422252
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379711

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile (CID 103509401) is 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile is CN(CC(F)(F)F)c1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile?
The InChIKey is RZADEHXHSWIQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c1-16(4-9(10,11)12)8-5(2-13)7(15)6(3-14)17-8/h4,15H2,1H3.
What are the key properties of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile?
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile has a molecular weight of 260.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103509401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).