5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile

C15H9FN2OS — CID 82045456

IUPAC5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)oc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H9FN2OS/c16-10-5-3-9(4-6-10)13-11(8-17)14(19-15(13)18)12-2-1-7-20-12/h1-7H,18H2
InChIKeyPSSKFMSTOWNFPE-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.27
Rot. Bonds2

About 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile

5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile (PubChem CID 82045456) has the molecular formula C15H9FN2OS and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile
PubChem CID82045456
Molecular FormulaC15H9FN2OS
Molecular Weight284.32 g/mol
Exact Mass284.04
IUPAC Name5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)oc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H9FN2OS/c16-10-5-3-9(4-6-10)13-11(8-17)14(19-15(13)18)12-2-1-7-20-12/h1-7H,18H2
InChIKeyPSSKFMSTOWNFPE-UHFFFAOYSA-N
XLogP4.27
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
2-amino-4-thiophen-2-ylfuran-3-carbonitrile
CID 82044048
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66203231
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
CID 69222371
3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene
CID 70009017
5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
CID 54018941
2-amino-6-(3-fluorophenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 5118720
2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile
CID 7310372
3-amino-5-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 82876042
2-amino-4-(4-ethylphenyl)-5-(2-fluorophenyl)furan-3-carbonitrile
CID 58016865
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile?
The IUPAC name of 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile (CID 82045456) is 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile.
What is the SMILES notation for 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile?
The canonical SMILES for 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile is N#Cc1c(-c2cccs2)oc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile?
The InChIKey is PSSKFMSTOWNFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2OS/c16-10-5-3-9(4-6-10)13-11(8-17)14(19-15(13)18)12-2-1-7-20-12/h1-7H,18H2.
What are the key properties of 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile?
5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile is sourced from PubChem (CID 82045456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).