4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile

C15H9FN2S — CID 65475143

IUPAC4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3sccc3c2)c(F)c1
InChIInChI=1S/C15H9FN2S/c16-13-7-10(9-17)1-3-14(13)18-12-2-4-15-11(8-12)5-6-19-15/h1-8,18H
InChIKeyCBWKDBWZSFTRCZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.66
Rot. Bonds2

About 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile

4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile (PubChem CID 65475143) has the molecular formula C15H9FN2S and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile
PubChem CID65475143
Molecular FormulaC15H9FN2S
Molecular Weight268.32 g/mol
Exact Mass268.05
IUPAC Name4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3sccc3c2)c(F)c1
InChIInChI=1S/C15H9FN2S/c16-13-7-10(9-17)1-3-14(13)18-12-2-4-15-11(8-12)5-6-19-15/h1-8,18H
InChIKeyCBWKDBWZSFTRCZ-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 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile?
The IUPAC name of 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile (CID 65475143) is 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile?
The canonical SMILES for 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile is N#Cc1ccc(Nc2ccc3sccc3c2)c(F)c1.
What is the InChIKey of 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile?
The InChIKey is CBWKDBWZSFTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S/c16-13-7-10(9-17)1-3-14(13)18-12-2-4-15-11(8-12)5-6-19-15/h1-8,18H.
What are the key properties of 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile?
4-(1-benzothiophen-5-ylamino)-3-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 4-(1-benzothiophen-5-ylamino)-3-fluorobenzonitrile is sourced from PubChem (CID 65475143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).