6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C20H19NS — CID 12737000

IUPAC6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESc1ccc(CN2Cc3sccc3C(c3ccccc3)C2)cc1
InChIInChI=1S/C20H19NS/c1-3-7-16(8-4-1)13-21-14-19(17-9-5-2-6-10-17)18-11-12-22-20(18)15-21/h1-12,19H,13-15H2
InChIKeyOBRLSFUVNJCEGQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.90
Rot. Bonds3

About 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 12737000) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID12737000
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC Name6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESc1ccc(CN2Cc3sccc3C(c3ccccc3)C2)cc1
InChIInChI=1S/C20H19NS/c1-3-7-16(8-4-1)13-21-14-19(17-9-5-2-6-10-17)18-11-12-22-20(18)15-21/h1-12,19H,13-15H2
InChIKeyOBRLSFUVNJCEGQ-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-methylphenyl)methyl]-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 12737003
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(2R,6S)-4-benzyl-10-thia-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),11-dien-7-one
CID 165145906
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one
CID 53438354
(4S)-2-benzyl-4-fluoro-3,4-dihydro-1H-isoquinoline
CID 7202580
2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 165428527
2,4-dibenzyl-3,4-dihydro-1H-isoquinoline
CID 135053737
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 142167695

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 12737000) is 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is c1ccc(CN2Cc3sccc3C(c3ccccc3)C2)cc1.
What is the InChIKey of 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is OBRLSFUVNJCEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS/c1-3-7-16(8-4-1)13-21-14-19(17-9-5-2-6-10-17)18-11-12-22-20(18)15-21/h1-12,19H,13-15H2.
What are the key properties of 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 305.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 12737000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).