5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine

C15H15N3OS — CID 106921633

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
SMILESCc1cc2c(Sc3nc(C)c(C)o3)ccc(N)c2cn1
InChIInChI=1S/C15H15N3OS/c1-8-6-11-12(7-17-8)13(16)4-5-14(11)20-15-18-9(2)10(3)19-15/h4-7H,16H2,1-3H3
InChIKeyCSNXYQDZFRWJIO-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.88
Rot. Bonds2

About 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine (PubChem CID 106921633) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
PubChem CID106921633
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
SMILESCc1cc2c(Sc3nc(C)c(C)o3)ccc(N)c2cn1
InChIInChI=1S/C15H15N3OS/c1-8-6-11-12(7-17-8)13(16)4-5-14(11)20-15-18-9(2)10(3)19-15/h4-7H,16H2,1-3H3
InChIKeyCSNXYQDZFRWJIO-UHFFFAOYSA-N
XLogP3.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine (CID 106921633) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine is Cc1cc2c(Sc3nc(C)c(C)o3)ccc(N)c2cn1.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine?
The InChIKey is CSNXYQDZFRWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-8-6-11-12(7-17-8)13(16)4-5-14(11)20-15-18-9(2)10(3)19-15/h4-7H,16H2,1-3H3.
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine has a molecular weight of 285.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine is sourced from PubChem (CID 106921633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).