2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine

C12H9N3S2 — CID 61219105

IUPAC2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine
SMILESNc1ccc2nc(Sc3nccs3)ccc2c1
InChIInChI=1S/C12H9N3S2/c13-9-2-3-10-8(7-9)1-4-11(15-10)17-12-14-5-6-16-12/h1-7H,13H2
InChIKeyRDLIWVFZMCICTK-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.42
Rot. Bonds2

About 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine

2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine (PubChem CID 61219105) has the molecular formula C12H9N3S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine
PubChem CID61219105
Molecular FormulaC12H9N3S2
Molecular Weight259.36 g/mol
Exact Mass259.02
IUPAC Name2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine
SMILESNc1ccc2nc(Sc3nccs3)ccc2c1
InChIInChI=1S/C12H9N3S2/c13-9-2-3-10-8(7-9)1-4-11(15-10)17-12-14-5-6-16-12/h1-7H,13H2
InChIKeyRDLIWVFZMCICTK-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine (CID 61219105) is 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine is Nc1ccc2nc(Sc3nccs3)ccc2c1.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine?
The InChIKey is RDLIWVFZMCICTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S2/c13-9-2-3-10-8(7-9)1-4-11(15-10)17-12-14-5-6-16-12/h1-7H,13H2.
What are the key properties of 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine?
2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine has a molecular weight of 259.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine is sourced from PubChem (CID 61219105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).