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

C15H18ClNS — CID 3041306

IUPAC5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCc1ccc(CN2CCc3sccc3C2)cc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-12-2-4-13(5-3-12)10-16-8-6-15-14(11-16)7-9-17-15;/h2-5,7,9H,6,8,10-11H2,1H3;1H
InChIKeyOECVYSUBMAHKLV-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.04
Rot. Bonds2

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

5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 3041306) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID3041306
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCc1ccc(CN2CCc3sccc3C2)cc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-12-2-4-13(5-3-12)10-16-8-6-15-14(11-16)7-9-17-15;/h2-5,7,9H,6,8,10-11H2,1H3;1H
InChIKeyOECVYSUBMAHKLV-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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Related Compounds

Ticlopidine
CID 5472
Ticlopidine Hydrochloride
CID 65335
Tenocyclidine
CID 62751
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride
CID 3041280
Benzonitrile, 2-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-
CID 133950
Tenocyclidine hydrochloride
CID 16640802

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 3041306) is 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cc1ccc(CN2CCc3sccc3C2)cc1.Cl.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is OECVYSUBMAHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-12-2-4-13(5-3-12)10-16-8-6-15-14(11-16)7-9-17-15;/h2-5,7,9H,6,8,10-11H2,1H3;1H.
What are the key properties of 5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(4-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-[(4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3041306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).