dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate

C43H43ClCs2F6N14O11S2 — CID 159942062

About dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate

dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate (PubChem CID 159942062) has the molecular formula C43H43ClCs2F6N14O11S2 and a molecular weight of 1411.29 g/mol. Its IUPAC name is dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate.

Molecular Properties

• Compound Name: dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate
• PubChem CID: 159942062
• Molecular Formula: C43H43ClCs2F6N14O11S2
• Molecular Weight: 1411.29 g/mol
• Exact Mass: 1410.04
• IUPAC Name: dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate
• SMILES: CN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(Cl)cn3)cc(F)c2F)CS1(=O)=O.Cc1nc(CO)no1.Cc1nc(COc2cnc(/C(F)=C/c3cc(F)c(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)c3)cn2)no1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C21H20F3N7O4S.C17H15ClF3N5O2S.C4H6N2O2.CH2O3.2Cs.H/c1-11-28-17(30-35-11)9-34-18-8-26-16(7-27-18)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)29-21;1-17(8-29(27,28)26(2)16(22)25-17)10-3-9(5-12(20)15(10)21)4-11(19)13-6-24-14(18)7-23-13;1-3-5-4(2-7)6-8-3;2-1-4-3;;;/h4-8H,9-10H2,1-3H3,(H2,25,29);3-7H,8H2,1-2H3,(H2,22,25);7H,2H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1/b14-5-;11-4-;;;;;/t21-;17-;;;;;/m00...../s1
• InChIKey: RIKNIRJADPJEHQ-WTSMILELSA-M
• XLogP: -2.60
• TPSA: 359.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1411.29
LogP ≤ 5	-2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate?

The IUPAC name of dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate (CID 159942062) is dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate.

What is the SMILES notation for dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate?

The canonical SMILES for dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate is CN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(Cl)cn3)cc(F)c2F)CS1(=O)=O.Cc1nc(CO)no1.Cc1nc(COc2cnc(/C(F)=C/c3cc(F)c(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)c3)cn2)no1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate?

The InChIKey is RIKNIRJADPJEHQ-WTSMILELSA-M. The full InChI is InChI=1S/C21H20F3N7O4S.C17H15ClF3N5O2S.C4H6N2O2.CH2O3.2Cs.H/c1-11-28-17(30-35-11)9-34-18-8-26-16(7-27-18)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)29-21;1-17(8-29(27,28)26(2)16(22)25-17)10-3-9(5-12(20)15(10)21)4-11(19)13-6-24-14(18)7-23-13;1-3-5-4(2-7)6-8-3;2-1-4-3;;;/h4-8H,9-10H2,1-3H3,(H2,25,29);3-7H,8H2,1-2H3,(H2,22,25);7H,2H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1/b14-5-;11-4-;;;;;/t21-;17-;;;;;/m00...../s1.

What are the key properties of dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate?

dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate has a molecular weight of 1411.29 g/mol, XLogP of -2.60, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;hydride;(5-methyl-1,2,4-oxadiazol-3-yl)methanol;oxido formate is sourced from PubChem (CID 159942062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).