4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile

C15H8F2N2S — CID 81283765

IUPAC4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Nc2ccc3sccc3c2)c(F)c1
InChIInChI=1S/C15H8F2N2S/c16-12-5-9(8-18)6-13(17)15(12)19-11-1-2-14-10(7-11)3-4-20-14/h1-7,19H
InChIKeyKHRZDRQJTOPOMW-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.79
Rot. Bonds2

About 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile

4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile (PubChem CID 81283765) has the molecular formula C15H8F2N2S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile
PubChem CID81283765
Molecular FormulaC15H8F2N2S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Nc2ccc3sccc3c2)c(F)c1
InChIInChI=1S/C15H8F2N2S/c16-12-5-9(8-18)6-13(17)15(12)19-11-1-2-14-10(7-11)3-4-20-14/h1-7,19H
InChIKeyKHRZDRQJTOPOMW-UHFFFAOYSA-N
XLogP4.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile (CID 81283765) is 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile is N#Cc1cc(F)c(Nc2ccc3sccc3c2)c(F)c1.
What is the InChIKey of 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile?
The InChIKey is KHRZDRQJTOPOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2S/c16-12-5-9(8-18)6-13(17)15(12)19-11-1-2-14-10(7-11)3-4-20-14/h1-7,19H.
What are the key properties of 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile?
4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile has a molecular weight of 286.31 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-ylamino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).