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

C12H9N3OS — CID 106921414

IUPAC2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine
SMILESNc1ccc2nc(Sc3ncco3)ccc2c1
InChIInChI=1S/C12H9N3OS/c13-9-2-3-10-8(7-9)1-4-11(15-10)17-12-14-5-6-16-12/h1-7H,13H2
InChIKeyMDUKLIARQXRYNS-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds2

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

2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine (PubChem CID 106921414) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine
PubChem CID106921414
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine
SMILESNc1ccc2nc(Sc3ncco3)ccc2c1
InChIInChI=1S/C12H9N3OS/c13-9-2-3-10-8(7-9)1-4-11(15-10)17-12-14-5-6-16-12/h1-7H,13H2
InChIKeyMDUKLIARQXRYNS-UHFFFAOYSA-N
XLogP2.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
7-Fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921521
1,3-Oxazole;quinoline;1,3-thiazole
CID 158077050
Acridine;1,3-oxazole
CID 158417273
1,3-Oxazole;quinolin-2-amine
CID 159388854
1,3-Oxazole;phosphane;quinoline
CID 159601305
1,3-Oxazole;quinoline
CID 162020962
2-Prop-2-enyl-1,3-oxazole;quinoline
CID 174429376
1,3-Oxazol-2-ylphosphane;quinoline
CID 174535559
1,3-Oxazole;quinoline;hydrate
CID 174580573
2-Ethyl-1,3-oxazole;quinoline
CID 174841400
Benzene;1,3-oxazole;quinoline
CID 174909453

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine (CID 106921414) is 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine is Nc1ccc2nc(Sc3ncco3)ccc2c1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine?
The InChIKey is MDUKLIARQXRYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/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-oxazol-2-ylsulfanyl)quinolin-6-amine?
2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine has a molecular weight of 243.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)quinolin-6-amine is sourced from PubChem (CID 106921414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).