8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

C12H12N2OS — CID 12593079

IUPAC8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESNc1ccc2cc3n(c(=O)c2c1)CCCS3
InChIInChI=1S/C12H12N2OS/c13-9-3-2-8-6-11-14(4-1-5-16-11)12(15)10(8)7-9/h2-3,6-7H,1,4-5,13H2
InChIKeyAACLSCNUODENLJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.08
Rot. Bonds

About 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (PubChem CID 12593079) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.

Molecular Properties

Compound Name8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
PubChem CID12593079
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESNc1ccc2cc3n(c(=O)c2c1)CCCS3
InChIInChI=1S/C12H12N2OS/c13-9-3-2-8-6-11-14(4-1-5-16-11)12(15)10(8)7-9/h2-3,6-7H,1,4-5,13H2
InChIKeyAACLSCNUODENLJ-UHFFFAOYSA-N
XLogP2.08
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The IUPAC name of 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (CID 12593079) is 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.
What is the SMILES notation for 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The canonical SMILES for 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is Nc1ccc2cc3n(c(=O)c2c1)CCCS3.
What is the InChIKey of 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The InChIKey is AACLSCNUODENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-9-3-2-8-6-11-14(4-1-5-16-11)12(15)10(8)7-9/h2-3,6-7H,1,4-5,13H2.
What are the key properties of 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one has a molecular weight of 232.31 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is sourced from PubChem (CID 12593079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).