4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine

C12H9N3OS — CID 106921410

IUPAC4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine
SMILESNc1ccc2c(Sc3ncco3)ccnc2c1
InChIInChI=1S/C12H9N3OS/c13-8-1-2-9-10(7-8)14-4-3-11(9)17-12-15-5-6-16-12/h1-7H,13H2
InChIKeyNEGKTKOUWLGLRK-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds2

About 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine

4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine (PubChem CID 106921410) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine
PubChem CID106921410
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine
SMILESNc1ccc2c(Sc3ncco3)ccnc2c1
InChIInChI=1S/C12H9N3OS/c13-8-1-2-9-10(7-8)14-4-3-11(9)17-12-15-5-6-16-12/h1-7H,13H2
InChIKeyNEGKTKOUWLGLRK-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
8-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
CID 106921671
1,3-Oxazole;quinoline;1,3-thiazole
CID 158077050
1,3-Oxazole;phosphane;quinoline
CID 159601305
1,3-oxazole;7H-pyrrolo[2,3-h]quinoline
CID 160907135
1,3-Oxazole;quinoline
CID 162020962
1,3-Oxazol-2-ylphosphane;quinoline
CID 174535559
1,3-Oxazole;quinoline;hydrate
CID 174580573
1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium
CID 174750339
1,3-Oxazole;1,7-phenanthroline
CID 174972077
3-[3-(1,3-Oxazol-2-yl)prop-1-ynyl]quinolin-4-amine
CID 175929612

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine (CID 106921410) is 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine is Nc1ccc2c(Sc3ncco3)ccnc2c1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine?
The InChIKey is NEGKTKOUWLGLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-8-1-2-9-10(7-8)14-4-3-11(9)17-12-15-5-6-16-12/h1-7H,13H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine?
4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-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 4-(1,3-oxazol-2-ylsulfanyl)quinolin-7-amine is sourced from PubChem (CID 106921410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).