2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile

C15H10N2OS — CID 115886541

IUPAC2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc2sccc2c1=O
InChIInChI=1S/C15H10N2OS/c16-9-11-3-1-2-4-12(11)10-17-7-5-14-13(15(17)18)6-8-19-14/h1-8H,10H2
InChIKeyCPNMUZFWNBPBQE-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.98
Rot. Bonds2

About 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile

2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile (PubChem CID 115886541) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
PubChem CID115886541
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Name2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc2sccc2c1=O
InChIInChI=1S/C15H10N2OS/c16-9-11-3-1-2-4-12(11)10-17-7-5-14-13(15(17)18)6-8-19-14/h1-8H,10H2
InChIKeyCPNMUZFWNBPBQE-UHFFFAOYSA-N
XLogP2.98
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
The IUPAC name of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile (CID 115886541) is 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1ccc2sccc2c1=O.
What is the InChIKey of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
The InChIKey is CPNMUZFWNBPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c16-9-11-3-1-2-4-12(11)10-17-7-5-14-13(15(17)18)6-8-19-14/h1-8H,10H2.
What are the key properties of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile is sourced from PubChem (CID 115886541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).