8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one

C11H9N3O2S — CID 121224408

IUPAC8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one
SMILESCOc1ccc2c(c1)Nc1[nH]c(=O)ncc1S2
InChIInChI=1S/C11H9N3O2S/c1-16-6-2-3-8-7(4-6)13-10-9(17-8)5-12-11(15)14-10/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyCXZVTAIAPPOWFF-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.99
Rot. Bonds1

About 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one

8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one (PubChem CID 121224408) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one.

Molecular Properties

Compound Name8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one
PubChem CID121224408
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one
SMILESCOc1ccc2c(c1)Nc1[nH]c(=O)ncc1S2
InChIInChI=1S/C11H9N3O2S/c1-16-6-2-3-8-7(4-6)13-10-9(17-8)5-12-11(15)14-10/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyCXZVTAIAPPOWFF-UHFFFAOYSA-N
XLogP1.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one?
The IUPAC name of 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one (CID 121224408) is 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one.
What is the SMILES notation for 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one?
The canonical SMILES for 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one is COc1ccc2c(c1)Nc1[nH]c(=O)ncc1S2.
What is the InChIKey of 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one?
The InChIKey is CXZVTAIAPPOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-16-6-2-3-8-7(4-6)13-10-9(17-8)5-12-11(15)14-10/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one?
8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one has a molecular weight of 247.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,10-dihydropyrimido[5,4-b][1,4]benzothiazin-2-one is sourced from PubChem (CID 121224408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).