2-amino-5-naphthalen-2-ylsulfanylbenzonitrile

C17H12N2S — CID 825277

IUPAC2-amino-5-naphthalen-2-ylsulfanylbenzonitrile
SMILESN#Cc1cc(Sc2ccc3ccccc3c2)ccc1N
InChIInChI=1S/C17H12N2S/c18-11-14-10-16(7-8-17(14)19)20-15-6-5-12-3-1-2-4-13(12)9-15/h1-10H,19H2
InChIKeyVTLBPZZZJUREFL-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.44
Rot. Bonds2

About 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile

2-amino-5-naphthalen-2-ylsulfanylbenzonitrile (PubChem CID 825277) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile.

Molecular Properties

Compound Name2-amino-5-naphthalen-2-ylsulfanylbenzonitrile
PubChem CID825277
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-amino-5-naphthalen-2-ylsulfanylbenzonitrile
SMILESN#Cc1cc(Sc2ccc3ccccc3c2)ccc1N
InChIInChI=1S/C17H12N2S/c18-11-14-10-16(7-8-17(14)19)20-15-6-5-12-3-1-2-4-13(12)9-15/h1-10H,19H2
InChIKeyVTLBPZZZJUREFL-UHFFFAOYSA-N
XLogP4.44
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile?
The IUPAC name of 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile (CID 825277) is 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile.
What is the SMILES notation for 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile?
The canonical SMILES for 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile is N#Cc1cc(Sc2ccc3ccccc3c2)ccc1N.
What is the InChIKey of 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile?
The InChIKey is VTLBPZZZJUREFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c18-11-14-10-16(7-8-17(14)19)20-15-6-5-12-3-1-2-4-13(12)9-15/h1-10H,19H2.
What are the key properties of 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile?
2-amino-5-naphthalen-2-ylsulfanylbenzonitrile has a molecular weight of 276.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-naphthalen-2-ylsulfanylbenzonitrile is sourced from PubChem (CID 825277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).