2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C15H12F3N3O4S — CID 25465860

IUPAC2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C15H12F3N3O4S/c16-15(17,18)25-12-4-2-1-3-11(12)19-14(22)10-5-6-13-20-26(23,24)8-7-21(13)9-10/h1-6,9H,7-8H2,(H,19,22)
InChIKeyYYYSAYQOICQQAS-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.02
Rot. Bonds3

About 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 25465860) has the molecular formula C15H12F3N3O4S and a molecular weight of 387.34 g/mol. Its IUPAC name is 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID25465860
Molecular FormulaC15H12F3N3O4S
Molecular Weight387.34 g/mol
Exact Mass387.05
IUPAC Name2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C15H12F3N3O4S/c16-15(17,18)25-12-4-2-1-3-11(12)19-14(22)10-5-6-13-20-26(23,24)8-7-21(13)9-10/h1-6,9H,7-8H2,(H,19,22)
InChIKeyYYYSAYQOICQQAS-UHFFFAOYSA-N
XLogP2.02
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.02
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-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 25465860) is 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is YYYSAYQOICQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4S/c16-15(17,18)25-12-4-2-1-3-11(12)19-14(22)10-5-6-13-20-26(23,24)8-7-21(13)9-10/h1-6,9H,7-8H2,(H,19,22).
What are the key properties of 2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 387.34 g/mol, XLogP of 2.02, 3 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-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 25465860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).