dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate

C84H104ClCs2F6N11O14S3 — CID 159616157

About dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate

dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate (PubChem CID 159616157) has the molecular formula C84H104ClCs2F6N11O14S3 and a molecular weight of 2003.27 g/mol. Its IUPAC name is dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate.

Molecular Properties

• Compound Name: dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate
• PubChem CID: 159616157
• Molecular Formula: C84H104ClCs2F6N11O14S3
• Molecular Weight: 2003.27 g/mol
• Exact Mass: 2001.46
• IUPAC Name: dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate
• SMILES: CC1(C)C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CCCC4)cn3)ccc2F)CS1(=O)=O.CC1(C)C(NC(=O)OCC2CCCC2)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CCCC4)cn3)ccc2F)CS1(=O)=O.CC1=N[C@](C)(c2cc(/C=C(\F)c3cnc(Cl)cn3)ccc2F)CS(=O)(=O)C1(C)C.O=CO[O-].OCC1CCCC1.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C32H40F2N4O5S.C25H30F2N4O3S.C20H20ClF2N3O2S.C6H12O.CH2O3.2Cs.H/c1-31(2)29(37-30(39)43-19-22-10-6-7-11-22)38-32(3,20-44(31,40)41)24-14-23(12-13-25(24)33)15-26(34)27-16-36-28(17-35-27)42-18-21-8-4-5-9-21;1-24(2)23(28)31-25(3,15-35(24,32)33)18-10-17(8-9-19(18)26)11-20(27)21-12-30-22(13-29-21)34-14-16-6-4-5-7-16;1-12-19(2,3)29(27,28)11-20(4,26-12)14-7-13(5-6-15(14)22)8-16(23)17-9-25-18(21)10-24-17;7-5-6-3-1-2-4-6;2-1-4-3;;;/h12-17,21-22H,4-11,18-20H2,1-3H3,(H,37,38,39);8-13,16H,4-7,14-15H2,1-3H3,(H2,28,31);5-10H,11H2,1-4H3;6-7H,1-5H2;1,3H;;;/q;;;;;2*+1;-1/p-1/b26-15-;20-11-;16-8-;;;;;/t32-;25-;20-;;;;;/m000...../s1
• InChIKey: FTKPZFMLKGCNQN-RGQSIDBGSA-M
• XLogP: 9.16
• TPSA: 369.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.27
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate?

The IUPAC name of dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate (CID 159616157) is dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate.

What is the SMILES notation for dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate?

The canonical SMILES for dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate is CC1(C)C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CCCC4)cn3)ccc2F)CS1(=O)=O.CC1(C)C(NC(=O)OCC2CCCC2)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CCCC4)cn3)ccc2F)CS1(=O)=O.CC1=N[C@](C)(c2cc(/C=C(\F)c3cnc(Cl)cn3)ccc2F)CS(=O)(=O)C1(C)C.O=CO[O-].OCC1CCCC1.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate?

The InChIKey is FTKPZFMLKGCNQN-RGQSIDBGSA-M. The full InChI is InChI=1S/C32H40F2N4O5S.C25H30F2N4O3S.C20H20ClF2N3O2S.C6H12O.CH2O3.2Cs.H/c1-31(2)29(37-30(39)43-19-22-10-6-7-11-22)38-32(3,20-44(31,40)41)24-14-23(12-13-25(24)33)15-26(34)27-16-36-28(17-35-27)42-18-21-8-4-5-9-21;1-24(2)23(28)31-25(3,15-35(24,32)33)18-10-17(8-9-19(18)26)11-20(27)21-12-30-22(13-29-21)34-14-16-6-4-5-7-16;1-12-19(2,3)29(27,28)11-20(4,26-12)14-7-13(5-6-15(14)22)8-16(23)17-9-25-18(21)10-24-17;7-5-6-3-1-2-4-6;2-1-4-3;;;/h12-17,21-22H,4-11,18-20H2,1-3H3,(H,37,38,39);8-13,16H,4-7,14-15H2,1-3H3,(H2,28,31);5-10H,11H2,1-4H3;6-7H,1-5H2;1,3H;;;/q;;;;;2*+1;-1/p-1/b26-15-;20-11-;16-8-;;;;;/t32-;25-;20-;;;;;/m000...../s1.

What are the key properties of dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate?

dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate has a molecular weight of 2003.27 g/mol, XLogP of 9.16, 19 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,5,6,6-tetramethyl-2H-1,4-thiazine 1,1-dioxide;cyclopentylmethanol;(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine;cyclopentylmethyl N-[(3R)-3-[5-[(Z)-2-[5-(cyclopentylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-yl]carbamate;hydride;oxido formate is sourced from PubChem (CID 159616157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).