N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

C20H21F5N6O4S — CID 123424195

IUPACN-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCOC(CF)C1C(C)(c2cc(NC(=O)c3cnc(C(F)(F)F)cn3)ccc2F)N=C(N)N(C)S1(=O)=O
InChIInChI=1S/C20H21F5N6O4S/c1-19(16(14(7-21)35-3)36(33,34)31(2)18(26)30-19)11-6-10(4-5-12(11)22)29-17(32)13-8-28-15(9-27-13)20(23,24)25/h4-6,8-9,14,16H,7H2,1-3H3,(H2,26,30)(H,29,32)
InChIKeyHSIQQWJPLWYYGG-UHFFFAOYSA-N
MW536.48 g/mol
LogP2.05
Rot. Bonds6

About N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 123424195) has the molecular formula C20H21F5N6O4S and a molecular weight of 536.48 g/mol. Its IUPAC name is N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID123424195
Molecular FormulaC20H21F5N6O4S
Molecular Weight536.48 g/mol
Exact Mass536.13
IUPAC NameN-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCOC(CF)C1C(C)(c2cc(NC(=O)c3cnc(C(F)(F)F)cn3)ccc2F)N=C(N)N(C)S1(=O)=O
InChIInChI=1S/C20H21F5N6O4S/c1-19(16(14(7-21)35-3)36(33,34)31(2)18(26)30-19)11-6-10(4-5-12(11)22)29-17(32)13-8-28-15(9-27-13)20(23,24)25/h4-6,8-9,14,16H,7H2,1-3H3,(H2,26,30)(H,29,32)
InChIKeyHSIQQWJPLWYYGG-UHFFFAOYSA-N
XLogP2.05
TPSA139.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4aR,7aR)-3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 129202107
N-[3-[(4aS,7R,7aS)-3-amino-7-(fluoromethyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 71468896
N-[3-[(4aR)-3-amino-2-methyl-1,1-dioxo-5,6,8,8a-tetrahydropyrano[4,3-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89036616
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[3-[(4aS,7R,7aS)-3-amino-7-(fluoromethyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 71468771
N-[3-(3-amino-2-methyl-1,1-dioxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 78078198
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-[3-[(4aS)-3-amino-2-methyl-1,1,6-trioxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 138722346
N-[3-[(4R,5R,6S)-2-amino-6-(fluoromethyl)-5-methoxy-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 126693399
N-[3-[(5R,6S)-3-amino-6-[[ethyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 137468700
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 162608456
N-[3-[(1S,5R,6S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 118866462

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 123424195) is N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is COC(CF)C1C(C)(c2cc(NC(=O)c3cnc(C(F)(F)F)cn3)ccc2F)N=C(N)N(C)S1(=O)=O.
What is the InChIKey of N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is HSIQQWJPLWYYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5N6O4S/c1-19(16(14(7-21)35-3)36(33,34)31(2)18(26)30-19)11-6-10(4-5-12(11)22)29-17(32)13-8-28-15(9-27-13)20(23,24)25/h4-6,8-9,14,16H,7H2,1-3H3,(H2,26,30)(H,29,32).
What are the key properties of N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 536.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-amino-6-(2-fluoro-1-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 123424195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).