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

C12H9N3OS — CID 106921325

IUPAC5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
SMILESNc1ccc(Sc2ncco2)c2ccncc12
InChIInChI=1S/C12H9N3OS/c13-10-1-2-11(17-12-15-5-6-16-12)8-3-4-14-7-9(8)10/h1-7H,13H2
InChIKeyWOUCPNVAXKLBDC-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds2

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

5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine (PubChem CID 106921325) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine.

Molecular Properties

Compound Name5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
PubChem CID106921325
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
SMILESNc1ccc(Sc2ncco2)c2ccncc12
InChIInChI=1S/C12H9N3OS/c13-10-1-2-11(17-12-15-5-6-16-12)8-3-4-14-7-9(8)10/h1-7H,13H2
InChIKeyWOUCPNVAXKLBDC-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
4,5-Dimethyl-2-(8-nitroisoquinolin-5-yl)sulfanyl-1,3-oxazole
CID 17525504
N-(1,3-oxazol-5-ylmethyl)isoquinolin-8-amine
CID 80431846
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921318
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
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)quinolin-7-amine
CID 106921410
2-(1,3-Oxazol-2-ylsulfanyl)quinolin-6-amine
CID 106921414
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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
The IUPAC name of 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine (CID 106921325) is 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine.
What is the SMILES notation for 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
The canonical SMILES for 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine is Nc1ccc(Sc2ncco2)c2ccncc12.
What is the InChIKey of 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
The InChIKey is WOUCPNVAXKLBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-10-1-2-11(17-12-15-5-6-16-12)8-3-4-14-7-9(8)10/h1-7H,13H2.
What are the key properties of 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-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 5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine is sourced from PubChem (CID 106921325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).