5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine

C21H17NS — CID 155226369

IUPAC5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3sc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C21H17NS/c1-14-10-15(2)12-17(11-14)18-8-9-20-19(22-18)13-21(23-20)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyYUZBGOGOVDUQCW-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.25
Rot. Bonds2

About 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine

5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine (PubChem CID 155226369) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
PubChem CID155226369
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3sc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C21H17NS/c1-14-10-15(2)12-17(11-14)18-8-9-20-19(22-18)13-21(23-20)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyYUZBGOGOVDUQCW-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine 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 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine (CID 155226369) is 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine is Cc1cc(C)cc(-c2ccc3sc(-c4ccccc4)cc3n2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine?
The InChIKey is YUZBGOGOVDUQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-14-10-15(2)12-17(11-14)18-8-9-20-19(22-18)13-21(23-20)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine?
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine has a molecular weight of 315.44 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 155226369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).