N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C19H16FN3O3S2 — CID 60533958

IUPACN-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3S2/c20-15-4-6-16(7-5-15)23(13-17-2-1-10-27-17)19(24)14-3-8-18-21-28(25,26)11-9-22(18)12-14/h1-8,10,12H,9,11,13H2
InChIKeyUUMDZGNLJAZJRV-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.92
Rot. Bonds4

About N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 60533958) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID60533958
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC NameN-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3S2/c20-15-4-6-16(7-5-15)23(13-17-2-1-10-27-17)19(24)14-3-8-18-21-28(25,26)11-9-22(18)12-14/h1-8,10,12H,9,11,13H2
InChIKeyUUMDZGNLJAZJRV-UHFFFAOYSA-N
XLogP2.92
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-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

Related Compounds

2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 32983128
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46563354
N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27833804
N-(4-fluorophenyl)-2,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55891165
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 55974068
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 7299216
N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 35180799

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 60533958) is N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is UUMDZGNLJAZJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c20-15-4-6-16(7-5-15)23(13-17-2-1-10-27-17)19(24)14-3-8-18-21-28(25,26)11-9-22(18)12-14/h1-8,10,12H,9,11,13H2.
What are the key properties of N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 60533958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).