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

C12H10F3N3O3S2 — CID 51154079

IUPAC2,2-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C12H10F3N3O3S2/c13-12(14,15)6-16-10(19)7-1-2-8-9(5-7)22-11-17-23(20,21)4-3-18(8)11/h1-2,5H,3-4,6H2,(H,16,19)
InChIKeyPUBNYKDYWNIGTP-UHFFFAOYSA-N
MW365.36 g/mol
LogP1.59
Rot. Bonds2

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

2,2-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (PubChem CID 51154079) has the molecular formula C12H10F3N3O3S2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2,2-dioxo-N-(2,2,2-trifluoroethyl)-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-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
PubChem CID51154079
Molecular FormulaC12H10F3N3O3S2
Molecular Weight365.36 g/mol
Exact Mass365.01
IUPAC Name2,2-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C12H10F3N3O3S2/c13-12(14,15)6-16-10(19)7-1-2-8-9(5-7)22-11-17-23(20,21)4-3-18(8)11/h1-2,5H,3-4,6H2,(H,16,19)
InChIKeyPUBNYKDYWNIGTP-UHFFFAOYSA-N
XLogP1.59
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 51.59
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-(2,2,2-trifluoroethyl)-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-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (CID 51154079) is 2,2-dioxo-N-(2,2,2-trifluoroethyl)-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-trifluoroethyl)-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-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is O=C(NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of 2,2-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The InChIKey is PUBNYKDYWNIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3S2/c13-12(14,15)6-16-10(19)7-1-2-8-9(5-7)22-11-17-23(20,21)4-3-18(8)11/h1-2,5H,3-4,6H2,(H,16,19).
What are the key properties of 2,2-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
2,2-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 1.59, 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-(2,2,2-trifluoroethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is sourced from PubChem (CID 51154079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).