8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride

C19H19Cl2NS — CID 3053923

IUPAC8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride
SMILESCC1C(c2ccccc2)c2sc3ccc(Cl)cc3c2CN1C.Cl
InChIInChI=1S/C19H18ClNS.ClH/c1-12-18(13-6-4-3-5-7-13)19-16(11-21(12)2)15-10-14(20)8-9-17(15)22-19;/h3-10,12,18H,11H2,1-2H3;1H
InChIKeyNHQHGRPZOQICBS-UHFFFAOYSA-N
MW364.34 g/mol
LogP5.94
Rot. Bonds1

About 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride

8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride (PubChem CID 3053923) has the molecular formula C19H19Cl2NS and a molecular weight of 364.34 g/mol. Its IUPAC name is 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride
PubChem CID3053923
Molecular FormulaC19H19Cl2NS
Molecular Weight364.34 g/mol
Exact Mass363.06
IUPAC Name8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride
SMILESCC1C(c2ccccc2)c2sc3ccc(Cl)cc3c2CN1C.Cl
InChIInChI=1S/C19H18ClNS.ClH/c1-12-18(13-6-4-3-5-7-13)19-16(11-21(12)2)15-10-14(20)8-9-17(15)22-19;/h3-10,12,18H,11H2,1-2H3;1H
InChIKeyNHQHGRPZOQICBS-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.34
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-2,3-dimethyl-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

2-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 12412170
2-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-diethylethanamine
CID 12412174
1-[2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)ethyl]pyrrolidine
CID 12412178
3-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 12412198
1-[(5-Chloro-1-benzothien-3-yl)methyl]piperidine
CID 15945612
2-chloro-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587607
4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587634
1-[(5-Chloro-1-benzothien-3-yl)methyl]pyrrolidine
CID 816721
N-butyl-N-[2-(5-chloro-2-phenyl-1-benzothiophen-3-yl)ethyl]butan-1-amine
CID 12412176
2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 20546726
2-chloro-4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584661
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-
CID 3053917

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride (CID 3053923) is 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride is CC1C(c2ccccc2)c2sc3ccc(Cl)cc3c2CN1C.Cl.
What is the InChIKey of 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
The InChIKey is NHQHGRPZOQICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNS.ClH/c1-12-18(13-6-4-3-5-7-13)19-16(11-21(12)2)15-10-14(20)8-9-17(15)22-19;/h3-10,12,18H,11H2,1-2H3;1H.
What are the key properties of 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride?
8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride has a molecular weight of 364.34 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3053923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).