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

C17H16F3N3O3S — CID 17446004

IUPAC2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)14-4-1-12(2-5-14)7-8-21-16(24)13-3-6-15-22-27(25,26)10-9-23(15)11-13/h1-6,11H,7-10H2,(H,21,24)
InChIKeyURJKKUAOQKXMRK-UHFFFAOYSA-N
MW399.39 g/mol
LogP1.86
Rot. Bonds4

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

2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 17446004) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID17446004
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)14-4-1-12(2-5-14)7-8-21-16(24)13-3-6-15-22-27(25,26)10-9-23(15)11-13/h1-6,11H,7-10H2,(H,21,24)
InChIKeyURJKKUAOQKXMRK-UHFFFAOYSA-N
XLogP1.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 17446004) is 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is URJKKUAOQKXMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)14-4-1-12(2-5-14)7-8-21-16(24)13-3-6-15-22-27(25,26)10-9-23(15)11-13/h1-6,11H,7-10H2,(H,21,24).
What are the key properties of 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 17446004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).