6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine

C12H10N4S — CID 107779336

IUPAC6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1c(Sc2ncc[nH]2)ccc2ncccc12
InChIInChI=1S/C12H10N4S/c13-11-8-2-1-5-14-9(8)3-4-10(11)17-12-15-6-7-16-12/h1-7H,13H2,(H,15,16)
InChIKeyFDCMGYGQELUJOI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.69
Rot. Bonds2

About 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine

6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine (PubChem CID 107779336) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine
PubChem CID107779336
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1c(Sc2ncc[nH]2)ccc2ncccc12
InChIInChI=1S/C12H10N4S/c13-11-8-2-1-5-14-9(8)3-4-10(11)17-12-15-6-7-16-12/h1-7H,13H2,(H,15,16)
InChIKeyFDCMGYGQELUJOI-UHFFFAOYSA-N
XLogP2.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine?
The IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine (CID 107779336) is 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine?
The canonical SMILES for 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine is Nc1c(Sc2ncc[nH]2)ccc2ncccc12.
What is the InChIKey of 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine?
The InChIKey is FDCMGYGQELUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-11-8-2-1-5-14-9(8)3-4-10(11)17-12-15-6-7-16-12/h1-7H,13H2,(H,15,16).
What are the key properties of 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine?
6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine has a molecular weight of 242.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 107779336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).