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

C15H18ClNS — CID 3041288

IUPAC5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1ccc(CCN2CCc3sccc3C2)cc1
InChIInChI=1S/C15H17NS.ClH/c1-2-4-13(5-3-1)6-9-16-10-7-15-14(12-16)8-11-17-15;/h1-5,8,11H,6-7,9-10,12H2;1H
InChIKeyFDTGQCGOKXFKCE-UHFFFAOYSA-N
MW279.84 g/mol
LogP3.77
Rot. Bonds3

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

5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 3041288) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID3041288
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1ccc(CCN2CCc3sccc3C2)cc1
InChIInChI=1S/C15H17NS.ClH/c1-2-4-13(5-3-1)6-9-16-10-7-15-14(12-16)8-11-17-15;/h1-5,8,11H,6-7,9-10,12H2;1H
InChIKeyFDTGQCGOKXFKCE-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 3041288) is 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.c1ccc(CCN2CCc3sccc3C2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is FDTGQCGOKXFKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-2-4-13(5-3-1)6-9-16-10-7-15-14(12-16)8-11-17-15;/h1-5,8,11H,6-7,9-10,12H2;1H.
What are the key properties of 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3041288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).