2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C17H16F3N3O3S — CID 46600207

IUPAC2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O3S/c1-11(12-4-6-13(7-5-12)17(18,19)20)21-16(24)14-3-2-8-23-9-10-27(25,26)22-15(14)23/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyFLJMXNDMJDMZSF-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.38
Rot. Bonds3

About 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 46600207) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID46600207
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O3S/c1-11(12-4-6-13(7-5-12)17(18,19)20)21-16(24)14-3-2-8-23-9-10-27(25,26)22-15(14)23/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyFLJMXNDMJDMZSF-UHFFFAOYSA-N
XLogP2.38
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 46600207) is 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CC(NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is FLJMXNDMJDMZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-11(12-4-6-13(7-5-12)17(18,19)20)21-16(24)14-3-2-8-23-9-10-27(25,26)22-15(14)23/h2-8,11H,9-10H2,1H3,(H,21,24).
What are the key properties of 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 46600207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).