6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol

C97H112Br2ClN25O23S6 — CID 159064132

About 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol

6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol (PubChem CID 159064132) has the molecular formula C97H112Br2ClN25O23S6 and a molecular weight of 2383.78 g/mol. Its IUPAC name is 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol.

Molecular Properties

• Compound Name: 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol
• PubChem CID: 159064132
• Molecular Formula: C97H112Br2ClN25O23S6
• Molecular Weight: 2383.78 g/mol
• Exact Mass: 2379.47
• IUPAC Name: 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol
• SMILES: CC(C)c1coc([C@H](/N=C2\NS(=O)(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)c1.CC[C@@H](/N=C1\NS(=O)(=O)N=C1Nc1ccc(Cl)c(S(N)(=O)=O)c1O)c1ccccc1.Cc1ccc([C@H](/N=C2\NS(=O)(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.[C-]#[N+]c1cccc(NC2=NS(=O)(=O)N/C2=N\[C@H](CC)c2cc(C(C)C)co2)c1O.[C-]#[N+]c1cccc(NC2=NS(=O)(=O)N/C2=N\[C@H](CC)c2ccc(C)o2)c1O
• InChI: InChI=1S/C23H30BrN5O5S.C21H26BrN5O5S.C19H21N5O4S.C17H18ClN5O5S2.C17H17N5O4S/c1-12(2)13-10-16(34-11-13)19(23(3,4)5)26-21-20(27-35(32,33)28-21)25-15-9-8-14(24)17(18(15)30)22(31)29(6)7;1-11-7-10-14(32-11)17(21(2,3)4)24-19-18(25-33(30,31)26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-5-13(16-9-12(10-28-16)11(2)3)21-18-19(24-29(26,27)23-18)22-15-8-6-7-14(20-4)17(15)25;1-2-12(10-6-4-3-5-7-10)20-16-17(23-30(27,28)22-16)21-13-9-8-11(18)15(14(13)24)29(19,25)26;1-4-11(14-9-8-10(2)26-14)19-16-17(22-27(24,25)21-16)20-13-7-5-6-12(18-3)15(13)23/h8-12,19,30H,1-7H3,(H,25,27)(H,26,28);7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-11,13,25H,5H2,1-3H3,(H,21,23)(H,22,24);3-9,12,24H,2H2,1H3,(H,20,22)(H,21,23)(H2,19,25,26);5-9,11,23H,4H2,1-2H3,(H,19,21)(H,20,22)/t19-;17-;13-;12-;11-/m00111/s1
• InChIKey: JYVNUGDNHILMDL-HCZBRASGSA-N
• XLogP: 16.84
• TPSA: 677.81 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.78
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol?

The IUPAC name of 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol (CID 159064132) is 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol.

What is the SMILES notation for 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol?

The canonical SMILES for 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol is CC(C)c1coc([C@H](/N=C2\NS(=O)(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)c1.CC[C@@H](/N=C1\NS(=O)(=O)N=C1Nc1ccc(Cl)c(S(N)(=O)=O)c1O)c1ccccc1.Cc1ccc([C@H](/N=C2\NS(=O)(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.[C-]#[N+]c1cccc(NC2=NS(=O)(=O)N/C2=N\[C@H](CC)c2cc(C(C)C)co2)c1O.[C-]#[N+]c1cccc(NC2=NS(=O)(=O)N/C2=N\[C@H](CC)c2ccc(C)o2)c1O.

What is the InChIKey of 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol?

The InChIKey is JYVNUGDNHILMDL-HCZBRASGSA-N. The full InChI is InChI=1S/C23H30BrN5O5S.C21H26BrN5O5S.C19H21N5O4S.C17H18ClN5O5S2.C17H17N5O4S/c1-12(2)13-10-16(34-11-13)19(23(3,4)5)26-21-20(27-35(32,33)28-21)25-15-9-8-14(24)17(18(15)30)22(31)29(6)7;1-11-7-10-14(32-11)17(21(2,3)4)24-19-18(25-33(30,31)26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-5-13(16-9-12(10-28-16)11(2)3)21-18-19(24-29(26,27)23-18)22-15-8-6-7-14(20-4)17(15)25;1-2-12(10-6-4-3-5-7-10)20-16-17(23-30(27,28)22-16)21-13-9-8-11(18)15(14(13)24)29(19,25)26;1-4-11(14-9-8-10(2)26-14)19-16-17(22-27(24,25)21-16)20-13-7-5-6-12(18-3)15(13)23/h8-12,19,30H,1-7H3,(H,25,27)(H,26,28);7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-11,13,25H,5H2,1-3H3,(H,21,23)(H,22,24);3-9,12,24H,2H2,1H3,(H,20,22)(H,21,23)(H2,19,25,26);5-9,11,23H,4H2,1-2H3,(H,19,21)(H,20,22)/t19-;17-;13-;12-;11-/m00111/s1.

What are the key properties of 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol?

6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol has a molecular weight of 2383.78 g/mol, XLogP of 16.84, 23 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-chloro-3-[[1,1-dioxo-4-[(1R)-1-phenylpropyl]imino-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;2-[[1,1-dioxo-4-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2,5-thiadiazol-3-yl]amino]-6-isocyanophenol;2-isocyano-6-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenol is sourced from PubChem (CID 159064132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).