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

C10H9F3N4S — CID 103422817

IUPAC3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
SMILESCN(CCC(F)(F)F)c1sc(C#N)c(N)c1C#N
InChIInChI=1S/C10H9F3N4S/c1-17(3-2-10(11,12)13)9-6(4-14)8(16)7(5-15)18-9/h2-3,16H2,1H3
InChIKeyDPXBWEXWINEYNJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.46
Rot. Bonds3

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

3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile (PubChem CID 103422817) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
PubChem CID103422817
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
SMILESCN(CCC(F)(F)F)c1sc(C#N)c(N)c1C#N
InChIInChI=1S/C10H9F3N4S/c1-17(3-2-10(11,12)13)9-6(4-14)8(16)7(5-15)18-9/h2-3,16H2,1H3
InChIKeyDPXBWEXWINEYNJ-UHFFFAOYSA-N
XLogP2.46
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419822
3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile
CID 103418145
3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile
CID 103420728
3-Amino-4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carbonitrile
CID 103421854
3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421855
4-Amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422798
3-Amino-4-ethylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422808
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422832
3-Amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422834
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422861
3-Amino-4-methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422868
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422870

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile (CID 103422817) is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile is CN(CCC(F)(F)F)c1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile?
The InChIKey is DPXBWEXWINEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c1-17(3-2-10(11,12)13)9-6(4-14)8(16)7(5-15)18-9/h2-3,16H2,1H3.
What are the key properties of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile?
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile has a molecular weight of 274.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103422817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).