5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione

C13H11N3S — CID 81335602

IUPAC5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
SMILESCc1cn(-c2cccc3cccnc23)c(=S)[nH]1
InChIInChI=1S/C13H11N3S/c1-9-8-16(13(17)15-9)11-6-2-4-10-5-3-7-14-12(10)11/h2-8H,1H3,(H,15,17)
InChIKeyNZMZXWSPMKDNDQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds1

About 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione

5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione (PubChem CID 81335602) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
PubChem CID81335602
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
SMILESCc1cn(-c2cccc3cccnc23)c(=S)[nH]1
InChIInChI=1S/C13H11N3S/c1-9-8-16(13(17)15-9)11-6-2-4-10-5-3-7-14-12(10)11/h2-8H,1H3,(H,15,17)
InChIKeyNZMZXWSPMKDNDQ-UHFFFAOYSA-N
XLogP3.39
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione 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

5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
CID 81423514
5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81139416
6-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79278498
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
8-chloroquinoline;ethane
CID 142246255
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
1-methyl-1,10-phenanthroline-2-thione
CID 45118686

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione (CID 81335602) is 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione is Cc1cn(-c2cccc3cccnc23)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione?
The InChIKey is NZMZXWSPMKDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-8-16(13(17)15-9)11-6-2-4-10-5-3-7-14-12(10)11/h2-8H,1H3,(H,15,17).
What are the key properties of 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione?
5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione has a molecular weight of 241.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione is sourced from PubChem (CID 81335602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).