N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

C243H206F13N37O36P6S12 — CID 160836257

About N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (PubChem CID 160836257) has the molecular formula C243H206F13N37O36P6S12 and a molecular weight of 5038.17 g/mol. Its IUPAC name is N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

Molecular Properties

• Compound Name: N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
• PubChem CID: 160836257
• Molecular Formula: C243H206F13N37O36P6S12
• Molecular Weight: 5038.17 g/mol
• Exact Mass: 5034.03
• IUPAC Name: N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
• SMILES: C.C.C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1CCC2=NCCCN2CC1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CN1C(N)=N[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)[C@H](C2CC2)S1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)[C@@H](C2CC2)S1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)[C@H](C2CC2)S1(=O)=O.CN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(N)cs2)C(C2CC2)S1(=O)=O.CN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C(C2CC2)S1(=O)=O.COc1ccc(CNc2csc(C3(C)N=C(NC(=O)c4ccccc4)N(C)S(=O)(=O)C3C3CC3)n2)c(OC)c1.O=C(O)C(F)(F)F.O=C(O)c1ccc(OC(F)F)cn1.PPP
• InChI: InChI=1S/C45H4.C44H6.C27H31N5O5S2.C25H24F2N6O5S2.3C18H20F2N6O4S2.C18H21N5O3S2.C9H16N2.C9H21O6P3.C7H5F2NO3.C2HF3O2.3CH4.H5P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-27(25-29-22(16-38-25)28-15-19-12-13-20(36-3)14-21(19)37-4)23(17-10-11-17)39(34,35)32(2)26(31-27)30-24(33)18-8-6-5-7-9-18;1-25(22-30-18(13-39-22)29-21(35)17-11-10-16(12-28-17)38-23(26)27)19(14-8-9-14)40(36,37)33(2)24(32-25)31-20(34)15-6-4-3-5-7-15;3*1-18(13(9-3-4-9)32(28,29)26(2)17(21)25-18)15-24-12(8-31-15)23-14(27)11-6-5-10(7-22-11)30-16(19)20;1-18(16-20-13(19)10-27-16)14(11-8-9-11)28(25,26)23(2)17(22-18)21-15(24)12-6-4-3-5-7-12;1-2-5-9-10-6-4-8-11(9)7-3-1;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;8-7(9)13-4-1-2-5(6(11)12)10-3-4;3-2(4,5)1(6)7;;;;1-3-2/h1H,2H3;1-2H3;5-9,12-14,16-17,23,28H,10-11,15H2,1-4H3,(H,30,31,33);3-7,10-14,19,23H,8-9H2,1-2H3,(H,29,35)(H,31,32,34);3*5-9,13,16H,3-4H2,1-2H3,(H2,21,25)(H,23,27);3-7,10-11,14H,8-9,19H2,1-2H3,(H,21,22,24);1-8H2;4-9H2,1-3H3;1-3,7H,(H,11,12);(H,6,7);3*1H4;3H,1-2H2/t;;;;2*13-,18+;13-,18-;;;;;;;;;/m....100........./s1
• InChIKey: MGTJGORLTXFMIB-DPLQJCJRSA-N
• XLogP: 28.48
• TPSA: 993.75 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 64
• Rotatable Bonds: 45
• Heavy Atoms: 347
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5038.17
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The IUPAC name of N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 160836257) is N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

What is the SMILES notation for N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The canonical SMILES for N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is C.C.C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1CCC2=NCCCN2CC1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CN1C(N)=N[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)[C@H](C2CC2)S1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)[C@@H](C2CC2)S1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)[C@H](C2CC2)S1(=O)=O.CN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(N)cs2)C(C2CC2)S1(=O)=O.CN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)C(C2CC2)S1(=O)=O.COc1ccc(CNc2csc(C3(C)N=C(NC(=O)c4ccccc4)N(C)S(=O)(=O)C3C3CC3)n2)c(OC)c1.O=C(O)C(F)(F)F.O=C(O)c1ccc(OC(F)F)cn1.PPP.

What is the InChIKey of N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The InChIKey is MGTJGORLTXFMIB-DPLQJCJRSA-N. The full InChI is InChI=1S/C45H4.C44H6.C27H31N5O5S2.C25H24F2N6O5S2.3C18H20F2N6O4S2.C18H21N5O3S2.C9H16N2.C9H21O6P3.C7H5F2NO3.C2HF3O2.3CH4.H5P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-27(25-29-22(16-38-25)28-15-19-12-13-20(36-3)14-21(19)37-4)23(17-10-11-17)39(34,35)32(2)26(31-27)30-24(33)18-8-6-5-7-9-18;1-25(22-30-18(13-39-22)29-21(35)17-11-10-16(12-28-17)38-23(26)27)19(14-8-9-14)40(36,37)33(2)24(32-25)31-20(34)15-6-4-3-5-7-15;3*1-18(13(9-3-4-9)32(28,29)26(2)17(21)25-18)15-24-12(8-31-15)23-14(27)11-6-5-10(7-22-11)30-16(19)20;1-18(16-20-13(19)10-27-16)14(11-8-9-11)28(25,26)23(2)17(22-18)21-15(24)12-6-4-3-5-7-12;1-2-5-9-10-6-4-8-11(9)7-3-1;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;8-7(9)13-4-1-2-5(6(11)12)10-3-4;3-2(4,5)1(6)7;;;;1-3-2/h1H,2H3;1-2H3;5-9,12-14,16-17,23,28H,10-11,15H2,1-4H3,(H,30,31,33);3-7,10-14,19,23H,8-9H2,1-2H3,(H,29,35)(H,31,32,34);3*5-9,13,16H,3-4H2,1-2H3,(H2,21,25)(H,23,27);3-7,10-11,14H,8-9,19H2,1-2H3,(H,21,22,24);1-8H2;4-9H2,1-3H3;1-3,7H,(H,11,12);(H,6,7);3*1H4;3H,1-2H2/t;;;;2*13-,18+;13-,18-;;;;;;;;;/m....100........./s1.

What are the key properties of N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide has a molecular weight of 5038.17 g/mol, XLogP of 28.48, 45 rotatable bonds, 14 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5S,6R)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5R,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[2-[(5S,6S)-3-amino-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;N-[5-(4-amino-1,3-thiazol-2-yl)-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;N-[2-(3-benzamido-6-cyclopropyl-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;bis(phosphanyl)phosphane;N-[6-cyclopropyl-5-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]benzamide;5-(difluoromethoxy)pyridine-2-carboxylic acid;methane;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pentatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosayne;tetratetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosayne;2,2,2-trifluoroacetic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 160836257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).