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

C14H16ClNS — CID 13341659

IUPAC5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1ccc(CN2CCc3sccc3C2)cc1
InChIInChI=1S/C14H15NS.ClH/c1-2-4-12(5-3-1)10-15-8-6-14-13(11-15)7-9-16-14;/h1-5,7,9H,6,8,10-11H2;1H
InChIKeyQHXKRSKJDSEPQI-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.73
Rot. Bonds2

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

5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 13341659) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID13341659
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1ccc(CN2CCc3sccc3C2)cc1
InChIInChI=1S/C14H15NS.ClH/c1-2-4-12(5-3-1)10-15-8-6-14-13(11-15)7-9-16-14;/h1-5,7,9H,6,8,10-11H2;1H
InChIKeyQHXKRSKJDSEPQI-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 13341659) is 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.c1ccc(CN2CCc3sccc3C2)cc1.
What is the InChIKey of 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is QHXKRSKJDSEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS.ClH/c1-2-4-12(5-3-1)10-15-8-6-14-13(11-15)7-9-16-14;/h1-5,7,9H,6,8,10-11H2;1H.
What are the key properties of 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 265.81 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 13341659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).