N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

C17H20F2N6O4S2 — CID 126714993

IUPACN-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C(C)(C)S1(=O)=O
InChIInChI=1S/C17H20F2N6O4S2/c1-16(2)17(3,24-15(20)25(4)31(16,27)28)13-23-11(8-30-13)22-12(26)10-6-5-9(7-21-10)29-14(18)19/h5-8,14H,1-4H3,(H2,20,24)(H,22,26)/t17-/m0/s1
InChIKeyMTTHTWZIBJNALE-KRWDZBQOSA-N
MW474.52 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126714993) has the molecular formula C17H20F2N6O4S2 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126714993
Molecular FormulaC17H20F2N6O4S2
Molecular Weight474.52 g/mol
Exact Mass474.10
IUPAC NameN-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C(C)(C)S1(=O)=O
InChIInChI=1S/C17H20F2N6O4S2/c1-16(2)17(3,24-15(20)25(4)31(16,27)28)13-23-11(8-30-13)22-12(26)10-6-5-9(7-21-10)29-14(18)19/h5-8,14H,1-4H3,(H2,20,24)(H,22,26)/t17-/m0/s1
InChIKeyMTTHTWZIBJNALE-KRWDZBQOSA-N
XLogP1.98
TPSA139.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 118435360
N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 145279796
N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 145279845
N-[2-[(8aS)-2-aminospiro[4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazine-6,1'-cyclobutane]-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126732092
N-[2-[(8aR)-4a-methyl-2-methyliminospiro[1,4,5,8-tetrahydropyrano[3,4-d][1,3]oxazine-6,1'-cyclobutane]-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 145279854
N-[2-[(4S,4aR,6S,8aR)-2-benzamido-4-(fluoromethyl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126715615
N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126720450
N-[6-[(5R,6R)-3-amino-1-hydroxy-2,2,5-trimethyl-1λ4-thia-4,9-diazabicyclo[4.3.0]non-3-en-5-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 121268026
N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide
CID 126715052
6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126722602
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyrimidine-2-carboxamide
CID 118435630
N-[2-[(8aS)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126731741

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126714993) is N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is CN1C(N)=N[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C(C)(C)S1(=O)=O.
What is the InChIKey of N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is MTTHTWZIBJNALE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20F2N6O4S2/c1-16(2)17(3,24-15(20)25(4)31(16,27)28)13-23-11(8-30-13)22-12(26)10-6-5-9(7-21-10)29-14(18)19/h5-8,14H,1-4H3,(H2,20,24)(H,22,26)/t17-/m0/s1.
What are the key properties of N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126714993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).