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

C15H17BrClNS — CID 54587608

IUPAC2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1ccc(C2CN(C)Cc3sc(Br)cc32)cc1.Cl
InChIInChI=1S/C15H16BrNS.ClH/c1-10-3-5-11(6-4-10)13-8-17(2)9-14-12(13)7-15(16)18-14;/h3-7,13H,8-9H2,1-2H3;1H
InChIKeyTYSOGLSTCFNAMS-UHFFFAOYSA-N
MW358.73 g/mol
LogP4.82
Rot. Bonds1

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

2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54587608) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54587608
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1ccc(C2CN(C)Cc3sc(Br)cc32)cc1.Cl
InChIInChI=1S/C15H16BrNS.ClH/c1-10-3-5-11(6-4-10)13-8-17(2)9-14-12(13)7-15(16)18-14;/h3-7,13H,8-9H2,1-2H3;1H
InChIKeyTYSOGLSTCFNAMS-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54587608) is 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is Cc1ccc(C2CN(C)Cc3sc(Br)cc32)cc1.Cl.
What is the InChIKey of 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is TYSOGLSTCFNAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS.ClH/c1-10-3-5-11(6-4-10)13-8-17(2)9-14-12(13)7-15(16)18-14;/h3-7,13H,8-9H2,1-2H3;1H.
What are the key properties of 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 358.73 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54587608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).