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

C19H15F3N4O4S2 — CID 17442054

IUPAC2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C19H15F3N4O4S2/c20-19(21,22)10-23-17(28)12-3-1-2-4-13(12)24-16(27)11-5-6-14-15(9-11)31-18-25-32(29,30)8-7-26(14)18/h1-6,9H,7-8,10H2,(H,23,28)(H,24,27)
InChIKeyHFNADJZQMWMULM-UHFFFAOYSA-N
MW484.48 g/mol
LogP2.84
Rot. Bonds4

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

2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (PubChem CID 17442054) has the molecular formula C19H15F3N4O4S2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
PubChem CID17442054
Molecular FormulaC19H15F3N4O4S2
Molecular Weight484.48 g/mol
Exact Mass484.05
IUPAC Name2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C19H15F3N4O4S2/c20-19(21,22)10-23-17(28)12-3-1-2-4-13(12)24-16(27)11-5-6-14-15(9-11)31-18-25-32(29,30)8-7-26(14)18/h1-6,9H,7-8,10H2,(H,23,28)(H,24,27)
InChIKeyHFNADJZQMWMULM-UHFFFAOYSA-N
XLogP2.84
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The IUPAC name of 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (CID 17442054) is 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)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-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The InChIKey is HFNADJZQMWMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4S2/c20-19(21,22)10-23-17(28)12-3-1-2-4-13(12)24-16(27)11-5-6-14-15(9-11)31-18-25-32(29,30)8-7-26(14)18/h1-6,9H,7-8,10H2,(H,23,28)(H,24,27).
What are the key properties of 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is sourced from PubChem (CID 17442054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).