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

C16H16FN3O3S — CID 8777508

IUPACN-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H16FN3O3S/c17-13-5-3-12(4-6-13)7-8-18-16(21)14-2-1-9-20-10-11-24(22,23)19-15(14)20/h1-6,9H,7-8,10-11H2,(H,18,21)
InChIKeyDECCJYDHWHBQLJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.98
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777508) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777508
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H16FN3O3S/c17-13-5-3-12(4-6-13)7-8-18-16(21)14-2-1-9-20-10-11-24(22,23)19-15(14)20/h1-6,9H,7-8,10-11H2,(H,18,21)
InChIKeyDECCJYDHWHBQLJ-UHFFFAOYSA-N
XLogP0.98
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-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

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9100713
N-[(4-ethylphenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9119133
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9467110
2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777050
2,2-dioxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 16389996
N-[cyclopropyl-(4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 17405777
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 47013010
N-[(4-fluorophenyl)methyl]-2,2-dioxo-N-prop-2-ynyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 47082589
N-[(1R)-1-[2-(2,4-difluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]-2-methylpropane-2-sulfonamide
CID 176328609
N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 8179273
N-[(2-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 8179352
N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777640

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777508) is N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is DECCJYDHWHBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-13-5-3-12(4-6-13)7-8-18-16(21)14-2-1-9-20-10-11-24(22,23)19-15(14)20/h1-6,9H,7-8,10-11H2,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).