6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C21H21NS — CID 12737003

IUPAC6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1ccc(CN2Cc3sccc3C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H21NS/c1-16-7-9-17(10-8-16)13-22-14-20(18-5-3-2-4-6-18)19-11-12-23-21(19)15-22/h2-12,20H,13-15H2,1H3
InChIKeyCCFIQXQCZDVRBW-UHFFFAOYSA-N
MW319.47 g/mol
LogP5.20
Rot. Bonds3

About 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 12737003) has the molecular formula C21H21NS and a molecular weight of 319.47 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID12737003
Molecular FormulaC21H21NS
Molecular Weight319.47 g/mol
Exact Mass319.14
IUPAC Name6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1ccc(CN2Cc3sccc3C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H21NS/c1-16-7-9-17(10-8-16)13-22-14-20(18-5-3-2-4-6-18)19-11-12-23-21(19)15-22/h2-12,20H,13-15H2,1H3
InChIKeyCCFIQXQCZDVRBW-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 12737003) is 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1ccc(CN2Cc3sccc3C(c3ccccc3)C2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is CCFIQXQCZDVRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NS/c1-16-7-9-17(10-8-16)13-22-14-20(18-5-3-2-4-6-18)19-11-12-23-21(19)15-22/h2-12,20H,13-15H2,1H3.
What are the key properties of 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 319.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 12737003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).