3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile

C16H16N2OS — CID 43288616

IUPAC3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCN2CCc3sccc3C2)c1
InChIInChI=1S/C16H16N2OS/c17-11-13-2-1-3-15(10-13)19-8-7-18-6-4-16-14(12-18)5-9-20-16/h1-3,5,9-10H,4,6-8,12H2
InChIKeyFTOCLXREXWQXDT-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.06
Rot. Bonds4

About 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile

3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile (PubChem CID 43288616) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile
PubChem CID43288616
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCN2CCc3sccc3C2)c1
InChIInChI=1S/C16H16N2OS/c17-11-13-2-1-3-15(10-13)19-8-7-18-6-4-16-14(12-18)5-9-20-16/h1-3,5,9-10H,4,6-8,12H2
InChIKeyFTOCLXREXWQXDT-UHFFFAOYSA-N
XLogP3.06
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile 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

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzonitrile
CID 112824313
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
CID 43530849
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzonitrile
CID 60980737
3-[2-(8-azaspiro[4.5]decan-8-yl)ethoxy]benzonitrile
CID 63160927
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[2-(2,2-dimethylthiomorpholin-4-yl)ethoxy]benzonitrile
CID 115683599
3-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzonitrile
CID 115611866
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
3-[3-(3-oxo-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 65360951

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile (CID 43288616) is 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile is N#Cc1cccc(OCCN2CCc3sccc3C2)c1.
What is the InChIKey of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile?
The InChIKey is FTOCLXREXWQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-11-13-2-1-3-15(10-13)19-8-7-18-6-4-16-14(12-18)5-9-20-16/h1-3,5,9-10H,4,6-8,12H2.
What are the key properties of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile?
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile has a molecular weight of 284.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile is sourced from PubChem (CID 43288616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).