2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile

C15H9FN2S — CID 79512847

IUPAC2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ccc2sccc2c1
InChIInChI=1S/C15H9FN2S/c16-13-2-1-3-14(12(13)9-17)18-11-4-5-15-10(8-11)6-7-19-15/h1-8,18H
InChIKeyMLGOLTQOYUQCAV-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.66
Rot. Bonds2

About 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile

2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile (PubChem CID 79512847) has the molecular formula C15H9FN2S and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile
PubChem CID79512847
Molecular FormulaC15H9FN2S
Molecular Weight268.32 g/mol
Exact Mass268.05
IUPAC Name2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ccc2sccc2c1
InChIInChI=1S/C15H9FN2S/c16-13-2-1-3-14(12(13)9-17)18-11-4-5-15-10(8-11)6-7-19-15/h1-8,18H
InChIKeyMLGOLTQOYUQCAV-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile (CID 79512847) is 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile?
The InChIKey is MLGOLTQOYUQCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S/c16-13-2-1-3-14(12(13)9-17)18-11-4-5-15-10(8-11)6-7-19-15/h1-8,18H.
What are the key properties of 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile?
2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-6-fluorobenzonitrile is sourced from PubChem (CID 79512847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).