8-methyl-N-(thian-3-yl)quinolin-4-amine

C15H18N2S — CID 133368635

IUPAC8-methyl-N-(thian-3-yl)quinolin-4-amine
SMILESCc1cccc2c(NC3CCCSC3)ccnc12
InChIInChI=1S/C15H18N2S/c1-11-4-2-6-13-14(7-8-16-15(11)13)17-12-5-3-9-18-10-12/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,16,17)
InChIKeyGQWWVIOMWFTDON-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.85
Rot. Bonds2

About 8-methyl-N-(thian-3-yl)quinolin-4-amine

8-methyl-N-(thian-3-yl)quinolin-4-amine (PubChem CID 133368635) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 8-methyl-N-(thian-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-methyl-N-(thian-3-yl)quinolin-4-amine
PubChem CID133368635
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name8-methyl-N-(thian-3-yl)quinolin-4-amine
SMILESCc1cccc2c(NC3CCCSC3)ccnc12
InChIInChI=1S/C15H18N2S/c1-11-4-2-6-13-14(7-8-16-15(11)13)17-12-5-3-9-18-10-12/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,16,17)
InChIKeyGQWWVIOMWFTDON-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-N-(thian-3-yl)quinolin-4-amine 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

N-(thian-3-yl)quinolin-5-amine
CID 62873049
8-methyl-N-(thiolan-2-ylmethyl)quinolin-4-amine
CID 133368980
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
CID 133368861
8-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499
N-(3-fluoro-2-methylphenyl)thian-3-amine
CID 62871831
8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine
CID 133369119
4-(cyclohexylamino)quinolin-8-ol
CID 22417942
1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine
CID 79458949
8-methyl-N-(oxepan-4-yl)quinolin-5-amine
CID 65082047
N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
CID 65083328
N-(4-bromo-2-methylphenyl)thian-3-amine
CID 62872313

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(thian-3-yl)quinolin-4-amine?
The IUPAC name of 8-methyl-N-(thian-3-yl)quinolin-4-amine (CID 133368635) is 8-methyl-N-(thian-3-yl)quinolin-4-amine.
What is the SMILES notation for 8-methyl-N-(thian-3-yl)quinolin-4-amine?
The canonical SMILES for 8-methyl-N-(thian-3-yl)quinolin-4-amine is Cc1cccc2c(NC3CCCSC3)ccnc12.
What is the InChIKey of 8-methyl-N-(thian-3-yl)quinolin-4-amine?
The InChIKey is GQWWVIOMWFTDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-4-2-6-13-14(7-8-16-15(11)13)17-12-5-3-9-18-10-12/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,16,17).
What are the key properties of 8-methyl-N-(thian-3-yl)quinolin-4-amine?
8-methyl-N-(thian-3-yl)quinolin-4-amine has a molecular weight of 258.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(thian-3-yl)quinolin-4-amine is sourced from PubChem (CID 133368635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).