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

C12H9N3OS — CID 106921365

IUPAC8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine
SMILESNc1ccc(Sc2ncco2)c2cnccc12
InChIInChI=1S/C12H9N3OS/c13-10-1-2-11(17-12-15-5-6-16-12)9-7-14-4-3-8(9)10/h1-7H,13H2
InChIKeyRBNJHJKDCHIVNC-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds2

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

8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine (PubChem CID 106921365) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine
PubChem CID106921365
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine
SMILESNc1ccc(Sc2ncco2)c2cnccc12
InChIInChI=1S/C12H9N3OS/c13-10-1-2-11(17-12-15-5-6-16-12)9-7-14-4-3-8(9)10/h1-7H,13H2
InChIKeyRBNJHJKDCHIVNC-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
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)quinolin-5-amine
CID 106921350
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410
2-(1,3-Oxazol-2-ylsulfanyl)quinolin-6-amine
CID 106921414
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921474
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921478
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
8-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921512
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921597

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine?
The IUPAC name of 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine (CID 106921365) is 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine.
What is the SMILES notation for 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine?
The canonical SMILES for 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine is Nc1ccc(Sc2ncco2)c2cnccc12.
What is the InChIKey of 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine?
The InChIKey is RBNJHJKDCHIVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-10-1-2-11(17-12-15-5-6-16-12)9-7-14-4-3-8(9)10/h1-7H,13H2.
What are the key properties of 8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-5-amine?
8-(1,3-oxazol-2-ylsulfanyl)isoquinolin-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)isoquinolin-5-amine is sourced from PubChem (CID 106921365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).