2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid

C10H8N2O4S2 — CID 706801

IUPAC2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C10H8N2O4S2/c13-9(14)6-1-2-7-8(5-6)17-10-11-18(15,16)4-3-12(7)10/h1-2,5H,3-4H2,(H,13,14)
InChIKeyFQIXXZAIZRXDCM-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.00
Rot. Bonds1

About 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid

2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid (PubChem CID 706801) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid.

Molecular Properties

Compound Name2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid
PubChem CID706801
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C10H8N2O4S2/c13-9(14)6-1-2-7-8(5-6)17-10-11-18(15,16)4-3-12(7)10/h1-2,5H,3-4H2,(H,13,14)
InChIKeyFQIXXZAIZRXDCM-UHFFFAOYSA-N
XLogP1.00
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid?
The IUPAC name of 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid (CID 706801) is 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid.
What is the SMILES notation for 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid?
The canonical SMILES for 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid is O=C(O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid?
The InChIKey is FQIXXZAIZRXDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-9(14)6-1-2-7-8(5-6)17-10-11-18(15,16)4-3-12(7)10/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid?
2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylic acid is sourced from PubChem (CID 706801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).