2-naphthalen-1-ylthiophene-3-carbonitrile

C15H9NS — CID 11770428

IUPAC2-naphthalen-1-ylthiophene-3-carbonitrile
SMILESN#Cc1ccsc1-c1cccc2ccccc12
InChIInChI=1S/C15H9NS/c16-10-12-8-9-17-15(12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H
InChIKeyUJDSRGNPVFBKQZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.44
Rot. Bonds1

About 2-naphthalen-1-ylthiophene-3-carbonitrile

2-naphthalen-1-ylthiophene-3-carbonitrile (PubChem CID 11770428) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-naphthalen-1-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-naphthalen-1-ylthiophene-3-carbonitrile
PubChem CID11770428
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Name2-naphthalen-1-ylthiophene-3-carbonitrile
SMILESN#Cc1ccsc1-c1cccc2ccccc12
InChIInChI=1S/C15H9NS/c16-10-12-8-9-17-15(12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H
InChIKeyUJDSRGNPVFBKQZ-UHFFFAOYSA-N
XLogP4.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-naphthalen-1-ylthiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-3-nitrothiophene
CID 46210339
naphthalene-1-carbonitrile;sulfane
CID 175607355
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
CID 102235920
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
CID 175833968
4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline
CID 175189327

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylthiophene-3-carbonitrile?
The IUPAC name of 2-naphthalen-1-ylthiophene-3-carbonitrile (CID 11770428) is 2-naphthalen-1-ylthiophene-3-carbonitrile.
What is the SMILES notation for 2-naphthalen-1-ylthiophene-3-carbonitrile?
The canonical SMILES for 2-naphthalen-1-ylthiophene-3-carbonitrile is N#Cc1ccsc1-c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylthiophene-3-carbonitrile?
The InChIKey is UJDSRGNPVFBKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c16-10-12-8-9-17-15(12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H.
What are the key properties of 2-naphthalen-1-ylthiophene-3-carbonitrile?
2-naphthalen-1-ylthiophene-3-carbonitrile has a molecular weight of 235.31 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylthiophene-3-carbonitrile is sourced from PubChem (CID 11770428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).