10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

C13H13NO2S — CID 12593085

IUPAC10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESCOc1cccc2c(=O)n3c(cc12)SCCC3
InChIInChI=1S/C13H13NO2S/c1-16-11-5-2-4-9-10(11)8-12-14(13(9)15)6-3-7-17-12/h2,4-5,8H,3,6-7H2,1H3
InChIKeyURJNLENHBNNHIV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.51
Rot. Bonds1

About 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (PubChem CID 12593085) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.

Molecular Properties

Compound Name10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
PubChem CID12593085
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESCOc1cccc2c(=O)n3c(cc12)SCCC3
InChIInChI=1S/C13H13NO2S/c1-16-11-5-2-4-9-10(11)8-12-14(13(9)15)6-3-7-17-12/h2,4-5,8H,3,6-7H2,1H3
InChIKeyURJNLENHBNNHIV-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The IUPAC name of 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (CID 12593085) is 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.
What is the SMILES notation for 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The canonical SMILES for 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is COc1cccc2c(=O)n3c(cc12)SCCC3.
What is the InChIKey of 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The InChIKey is URJNLENHBNNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-11-5-2-4-9-10(11)8-12-14(13(9)15)6-3-7-17-12/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one has a molecular weight of 247.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is sourced from PubChem (CID 12593085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).