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

C9H10F3N3S — CID 103422861

IUPAC3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
SMILESCN(CCC(F)(F)F)c1cc(N)c(C#N)s1
InChIInChI=1S/C9H10F3N3S/c1-15(3-2-9(10,11)12)8-4-6(14)7(5-13)16-8/h4H,2-3,14H2,1H3
InChIKeyWHIISBIISXYHCE-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.59
Rot. Bonds3

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

3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile (PubChem CID 103422861) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
PubChem CID103422861
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
SMILESCN(CCC(F)(F)F)c1cc(N)c(C#N)s1
InChIInChI=1S/C9H10F3N3S/c1-15(3-2-9(10,11)12)8-4-6(14)7(5-13)16-8/h4H,2-3,14H2,1H3
InChIKeyWHIISBIISXYHCE-UHFFFAOYSA-N
XLogP2.59
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-5-[(propyl)(2,2,2-trifluoroethyl)amino]thiophene-2-carbonitrile
CID 49802736
5-[Propyl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile
CID 49803284
3-Methyl-5-[propyl(2,2,2-trifluoroethyl)amino]thiophene-2-carbonitrile
CID 49803568
5-[Ethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbonitrile
CID 66687030
5-[(3-Amino-1,1,1-trifluoropropan-2-yl)amino]thiophene-2-carbonitrile
CID 178763364
3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carbonitrile
CID 103418158
3-Amino-5-[4-(2-fluorophenyl)piperazin-1-yl]thiophene-2-carbonitrile
CID 103418222
3-Amino-5-[4-(4-fluorophenyl)piperazin-1-yl]thiophene-2-carbonitrile
CID 103420285
3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carbonitrile
CID 103420741
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-carbonitrile
CID 103421860
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
CID 103422817

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile (CID 103422861) is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile is CN(CCC(F)(F)F)c1cc(N)c(C#N)s1.
What is the InChIKey of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile?
The InChIKey is WHIISBIISXYHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c1-15(3-2-9(10,11)12)8-4-6(14)7(5-13)16-8/h4H,2-3,14H2,1H3.
What are the key properties of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile?
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile has a molecular weight of 249.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103422861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).