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

C13H8F2N4S — CID 103417617

IUPAC3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCc2cc(F)ccc2F)c(C#N)c1N
InChIInChI=1S/C13H8F2N4S/c14-8-1-2-10(15)7(3-8)6-19-13-9(4-16)12(18)11(5-17)20-13/h1-3,19H,6,18H2
InChIKeyUVAIVWAKKHMGQV-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.96
Rot. Bonds3

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

3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile (PubChem CID 103417617) has the molecular formula C13H8F2N4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
PubChem CID103417617
Molecular FormulaC13H8F2N4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCc2cc(F)ccc2F)c(C#N)c1N
InChIInChI=1S/C13H8F2N4S/c14-8-1-2-10(15)7(3-8)6-19-13-9(4-16)12(18)11(5-17)20-13/h1-3,19H,6,18H2
InChIKeyUVAIVWAKKHMGQV-UHFFFAOYSA-N
XLogP2.96
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
4-(4-Fluorophenyl)-2-(methylamino)thiophene-3-carbonitrile
CID 44392699
2-[(2-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956443
2-[(3,4-Difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 83308262
2-[(3,5-Difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 83308264
2-[(3-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732487
2-[(4-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732511
6-[(3,4-difluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 167297802
4-(Benzylamino)-5-propyl-2-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile
CID 175025043
2-(Benzylamino)-4,5-dimethylthiophene-3-carbonitrile
CID 319451
2-(Benzylamino)thiophene-3-carbonitrile
CID 82674431
3-Amino-5-((4-fluorophenyl)amino)thiophene-2,4-dicarbonitrile
CID 911873

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile (CID 103417617) is 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile is N#Cc1sc(NCc2cc(F)ccc2F)c(C#N)c1N.
What is the InChIKey of 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
The InChIKey is UVAIVWAKKHMGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4S/c14-8-1-2-10(15)7(3-8)6-19-13-9(4-16)12(18)11(5-17)20-13/h1-3,19H,6,18H2.
What are the key properties of 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile has a molecular weight of 290.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103417617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).