8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine

C12H9N3OS — CID 106921350

IUPAC8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1ccc(Sc2ncco2)c2ncccc12
InChIInChI=1S/C12H9N3OS/c13-9-3-4-10(17-12-15-6-7-16-12)11-8(9)2-1-5-14-11/h1-7H,13H2
InChIKeyNPOXGOJIYJFWIO-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds2

About 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine

8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine (PubChem CID 106921350) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
PubChem CID106921350
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1ccc(Sc2ncco2)c2ncccc12
InChIInChI=1S/C12H9N3OS/c13-9-3-4-10(17-12-15-6-7-16-12)11-8(9)2-1-5-14-11/h1-7H,13H2
InChIKeyNPOXGOJIYJFWIO-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
N-(1,3-oxazol-5-ylmethyl)quinolin-5-amine
CID 65966088
7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921304
6-Bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
CID 106921305
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921318
5-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921325
8-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-5-amine
CID 106921365
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinazolin-7-amine
CID 106921404

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
The IUPAC name of 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine (CID 106921350) is 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
The canonical SMILES for 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine is Nc1ccc(Sc2ncco2)c2ncccc12.
What is the InChIKey of 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
The InChIKey is NPOXGOJIYJFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-9-3-4-10(17-12-15-6-7-16-12)11-8(9)2-1-5-14-11/h1-7H,13H2.
What are the key properties of 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-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 8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 106921350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).