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

C16H14F3N3O4S — CID 46674635

IUPAC2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)26-13-4-1-11(2-5-13)9-20-15(23)12-3-6-14-21-27(24,25)8-7-22(14)10-12/h1-6,10H,7-9H2,(H,20,23)
InChIKeyDDKJYBFOQPOKAB-UHFFFAOYSA-N
MW401.37 g/mol
LogP1.70
Rot. Bonds4

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

2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 46674635) has the molecular formula C16H14F3N3O4S and a molecular weight of 401.37 g/mol. Its IUPAC name is 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID46674635
Molecular FormulaC16H14F3N3O4S
Molecular Weight401.37 g/mol
Exact Mass401.07
IUPAC Name2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)26-13-4-1-11(2-5-13)9-20-15(23)12-3-6-14-21-27(24,25)8-7-22(14)10-12/h1-6,10H,7-9H2,(H,20,23)
InChIKeyDDKJYBFOQPOKAB-UHFFFAOYSA-N
XLogP1.70
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-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-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 46674635) is 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is DDKJYBFOQPOKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4S/c17-16(18,19)26-13-4-1-11(2-5-13)9-20-15(23)12-3-6-14-21-27(24,25)8-7-22(14)10-12/h1-6,10H,7-9H2,(H,20,23).
What are the key properties of 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 401.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 46674635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).