2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide

C16H13N3O3S2 — CID 8713711

IUPAC2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C16H13N3O3S2/c20-15(17-12-4-2-1-3-5-12)11-6-7-13-14(10-11)23-16-18-24(21,22)9-8-19(13)16/h1-7,10H,8-9H2,(H,17,20)
InChIKeyTZXDLXLTEVIXOK-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.55
Rot. Bonds2

About 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide

2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (PubChem CID 8713711) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
PubChem CID8713711
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C16H13N3O3S2/c20-15(17-12-4-2-1-3-5-12)11-6-7-13-14(10-11)23-16-18-24(21,22)9-8-19(13)16/h1-7,10H,8-9H2,(H,17,20)
InChIKeyTZXDLXLTEVIXOK-UHFFFAOYSA-N
XLogP2.55
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The IUPAC name of 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (CID 8713711) is 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The canonical SMILES for 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The InChIKey is TZXDLXLTEVIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c20-15(17-12-4-2-1-3-5-12)11-6-7-13-14(10-11)23-16-18-24(21,22)9-8-19(13)16/h1-7,10H,8-9H2,(H,17,20).
What are the key properties of 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is sourced from PubChem (CID 8713711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).