1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione

C11H11N3O4S — CID 20971562

IUPAC1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione
SMILESCn1c(=O)n(C)c2cc3c(cc21)NC(=O)CS3(=O)=O
InChIInChI=1S/C11H11N3O4S/c1-13-7-3-6-9(4-8(7)14(2)11(13)16)19(17,18)5-10(15)12-6/h3-4H,5H2,1-2H3,(H,12,15)
InChIKeyMLIWNDYHIXQHOJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.40
Rot. Bonds

About 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione

1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione (PubChem CID 20971562) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione.

Molecular Properties

Compound Name1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione
PubChem CID20971562
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione
SMILESCn1c(=O)n(C)c2cc3c(cc21)NC(=O)CS3(=O)=O
InChIInChI=1S/C11H11N3O4S/c1-13-7-3-6-9(4-8(7)14(2)11(13)16)19(17,18)5-10(15)12-6/h3-4H,5H2,1-2H3,(H,12,15)
InChIKeyMLIWNDYHIXQHOJ-UHFFFAOYSA-N
XLogP-0.40
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
The IUPAC name of 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione (CID 20971562) is 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione.
What is the SMILES notation for 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
The canonical SMILES for 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione is Cn1c(=O)n(C)c2cc3c(cc21)NC(=O)CS3(=O)=O.
What is the InChIKey of 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
The InChIKey is MLIWNDYHIXQHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-13-7-3-6-9(4-8(7)14(2)11(13)16)19(17,18)5-10(15)12-6/h3-4H,5H2,1-2H3,(H,12,15).
What are the key properties of 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione has a molecular weight of 281.29 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,5-dioxo-8H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione is sourced from PubChem (CID 20971562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).