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

C15H18ClNS — CID 3041294

IUPAC5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCc1cccc(CN2CCc3sccc3C2)c1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-12-3-2-4-13(9-12)10-16-7-5-15-14(11-16)6-8-17-15;/h2-4,6,8-9H,5,7,10-11H2,1H3;1H
InChIKeyVTASWYITGDVPMT-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.04
Rot. Bonds2

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

5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 3041294) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID3041294
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCc1cccc(CN2CCc3sccc3C2)c1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-12-3-2-4-13(9-12)10-16-7-5-15-14(11-16)6-8-17-15;/h2-4,6,8-9H,5,7,10-11H2,1H3;1H
InChIKeyVTASWYITGDVPMT-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 3041294) is 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cc1cccc(CN2CCc3sccc3C2)c1.Cl.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is VTASWYITGDVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-12-3-2-4-13(9-12)10-16-7-5-15-14(11-16)6-8-17-15;/h2-4,6,8-9H,5,7,10-11H2,1H3;1H.
What are the key properties of 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3041294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).