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

C14H11FN4S — CID 103420728

IUPAC3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile
SMILESCN(Cc1cccc(F)c1)c1sc(C#N)c(N)c1C#N
InChIInChI=1S/C14H11FN4S/c1-19(8-9-3-2-4-10(15)5-9)14-11(6-16)13(18)12(7-17)20-14/h2-5H,8,18H2,1H3
InChIKeyGUTOLVQEDACFHH-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.85
Rot. Bonds3

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

3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile (PubChem CID 103420728) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile
PubChem CID103420728
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile
SMILESCN(Cc1cccc(F)c1)c1sc(C#N)c(N)c1C#N
InChIInChI=1S/C14H11FN4S/c1-19(8-9-3-2-4-10(15)5-9)14-11(6-16)13(18)12(7-17)20-14/h2-5H,8,18H2,1H3
InChIKeyGUTOLVQEDACFHH-UHFFFAOYSA-N
XLogP2.85
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile
CID 67268549
2-[(3,4-Difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 83308262
2-[(3,5-Difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 83308264
2-(N-ethylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile
CID 126539271
2-(N-ethylanilino)-4-(2-fluorocyclohexa-2,4-dien-1-yl)-5-methylthiophene-3-carbonitrile
CID 126539277
2-(N-ethylanilino)-4-(2-fluorophenyl)-5-methylthiophene-3-carbonitrile
CID 126539595
2-[ethyl-[(3Z)-hexa-1,3,5-trien-2-yl]amino]-4-(2-fluorophenyl)thiophene-3-carbonitrile
CID 145238202
2-(Benzylamino)-4,5-dimethylthiophene-3-carbonitrile
CID 319451
3-Amino-5-((4-fluorophenyl)amino)thiophene-2,4-dicarbonitrile
CID 911873
2-amino-6-(2-cyano-3-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 16280612
2-Fluoro-6-(((3-methylthiophen-2-yl)methyl)amino)benzonitrile
CID 34014228
2-[1-(2,5-Dimethylthiophen-3-yl)ethylamino]-6-fluorobenzonitrile
CID 43429079

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile (CID 103420728) is 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile is CN(Cc1cccc(F)c1)c1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile?
The InChIKey is GUTOLVQEDACFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c1-19(8-9-3-2-4-10(15)5-9)14-11(6-16)13(18)12(7-17)20-14/h2-5H,8,18H2,1H3.
What are the key properties of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile?
3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile has a molecular weight of 286.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103420728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).