2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride

C24H22ClNS — CID 3053929

IUPAC2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride
SMILESCc1ccc(N2Cc3c(sc4ccccc34)C(c3ccccc3)C2)cc1.Cl
InChIInChI=1S/C24H21NS.ClH/c1-17-11-13-19(14-12-17)25-15-21(18-7-3-2-4-8-18)24-22(16-25)20-9-5-6-10-23(20)26-24;/h2-14,21H,15-16H2,1H3;1H
InChIKeyZJNJFKFSMZBWPM-UHFFFAOYSA-N
MW391.97 g/mol
LogP6.78
Rot. Bonds2

About 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride

2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride (PubChem CID 3053929) has the molecular formula C24H22ClNS and a molecular weight of 391.97 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride
PubChem CID3053929
Molecular FormulaC24H22ClNS
Molecular Weight391.97 g/mol
Exact Mass391.12
IUPAC Name2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride
SMILESCc1ccc(N2Cc3c(sc4ccccc34)C(c3ccccc3)C2)cc1.Cl
InChIInChI=1S/C24H21NS.ClH/c1-17-11-13-19(14-12-17)25-15-21(18-7-3-2-4-8-18)24-22(16-25)20-9-5-6-10-23(20)26-24;/h2-14,21H,15-16H2,1H3;1H
InChIKeyZJNJFKFSMZBWPM-UHFFFAOYSA-N
XLogP6.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.97
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11660289
N-methyl-N-phenyldibenzothiophen-2-amine
CID 90181893
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-3-methyl-4-phenyl-2-(2-phenylethyl)-, hydrochloride
CID 3053939
1-(1-Benzothiophen-3-yl)-4-methylpiperazine
CID 11447613
2-[4-(Dimethylamino)phenyl]-1-benzothiophene-3-carbonitrile
CID 46228108
2-(3-Piperidin-1-yl-1-benzothiophen-2-yl)benzonitrile
CID 46228204
3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46228260
1-Dibenzothiophen-2-yl-2,3-dihydroindole
CID 168271083
1-dibenzothiophen-2-yl-3,4-dihydro-2H-quinoline
CID 168272893

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride (CID 3053929) is 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride is Cc1ccc(N2Cc3c(sc4ccccc34)C(c3ccccc3)C2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
The InChIKey is ZJNJFKFSMZBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NS.ClH/c1-17-11-13-19(14-12-17)25-15-21(18-7-3-2-4-8-18)24-22(16-25)20-9-5-6-10-23(20)26-24;/h2-14,21H,15-16H2,1H3;1H.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3053929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).