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

C18H24ClNS — CID 54584689

IUPAC2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCCc1cc2c(s1)CN(CC)CC2c1ccc(C)cc1.Cl
InChIInChI=1S/C18H23NS.ClH/c1-4-15-10-16-17(14-8-6-13(3)7-9-14)11-19(5-2)12-18(16)20-15;/h6-10,17H,4-5,11-12H2,1-3H3;1H
InChIKeyVXWBLAUEURTEOP-UHFFFAOYSA-N
MW321.92 g/mol
LogP5.01
Rot. Bonds3

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

2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54584689) has the molecular formula C18H24ClNS and a molecular weight of 321.92 g/mol. Its IUPAC name is 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54584689
Molecular FormulaC18H24ClNS
Molecular Weight321.92 g/mol
Exact Mass321.13
IUPAC Name2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCCc1cc2c(s1)CN(CC)CC2c1ccc(C)cc1.Cl
InChIInChI=1S/C18H23NS.ClH/c1-4-15-10-16-17(14-8-6-13(3)7-9-14)11-19(5-2)12-18(16)20-15;/h6-10,17H,4-5,11-12H2,1-3H3;1H
InChIKeyVXWBLAUEURTEOP-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.92
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54584689) is 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is CCc1cc2c(s1)CN(CC)CC2c1ccc(C)cc1.Cl.
What is the InChIKey of 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is VXWBLAUEURTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS.ClH/c1-4-15-10-16-17(14-8-6-13(3)7-9-14)11-19(5-2)12-18(16)20-15;/h6-10,17H,4-5,11-12H2,1-3H3;1H.
What are the key properties of 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 321.92 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54584689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).