6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane

C₁₁₃H₁₅₇BrF₃N₂₅O₂₀S₅ — CID 158420742

About 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane

6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane (PubChem CID 158420742) has the molecular formula C₁₁₃H₁₅₇BrF₃N₂₅O₂₀S₅ and a molecular weight of 2482.89 g/mol. Its IUPAC name is 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane.

Molecular Properties

• Compound Name: 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane
• PubChem CID: 158420742
• Molecular Formula: C₁₁₃H₁₅₇BrF₃N₂₅O₂₀S₅
• Molecular Weight: 2482.89 g/mol
• Exact Mass: 2479.98
• IUPAC Name: 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane
• SMILES: C.C.C.C.C.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(C)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(C)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1
• InChI: InChI=1S/C22H26F3N5O4S.2C22H29N5O4S.C21H26BrN5O4S.C21H27N5O4S.5CH4/c1-6-14(16-9-12(10-34-16)11(2)3)26-19-20(29-35(33)28-19)27-15-8-7-13(22(23,24)25)17(18(15)31)21(32)30(4)5;1-12-8-10-14(17(28)16(12)21(29)27(6)7)23-19-20(26-32(30)25-19)24-18(22(3,4)5)15-11-9-13(2)31-15;1-7-15(17-10-14(11-31-17)12(2)3)23-20-21(26-32(30)25-20)24-16-9-8-13(4)18(19(16)28)22(29)27(5)6;1-6-14(16-9-12(10-31-16)11(2)3)23-19-20(26-32(30)25-19)24-15-8-7-13(22)17(18(15)28)21(29)27(4)5;1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6;;;;;/h7-11,14,31H,6H2,1-5H3,(H,26,28)(H,27,29);8-11,18,28H,1-7H3,(H,23,25)(H,24,26);8-12,15,28H,7H2,1-6H3,(H,23,25)(H,24,26);7-11,14,28H,6H2,1-5H3,(H,23,25)(H,24,26);7-11,17,27H,1-6H3,(H,22,24)(H,23,25);5*1H4/t14-,35?;18-,32?;15-,32?;14-,32?;17-,31?;;;;;/m10110...../s1
• InChIKey: HALOLUGVBASUSQ-NQNPCRDPSA-N
• XLogP: 21.98
• TPSA: 597.65 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2482.89
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane?

The IUPAC name of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane (CID 158420742) is 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane.

What is the SMILES notation for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane?

The canonical SMILES for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane is C.C.C.C.C.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(C)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(C)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1.

What is the InChIKey of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane?

The InChIKey is HALOLUGVBASUSQ-NQNPCRDPSA-N. The full InChI is InChI=1S/C22H26F3N5O4S.2C22H29N5O4S.C21H26BrN5O4S.C21H27N5O4S.5CH4/c1-6-14(16-9-12(10-34-16)11(2)3)26-19-20(29-35(33)28-19)27-15-8-7-13(22(23,24)25)17(18(15)31)21(32)30(4)5;1-12-8-10-14(17(28)16(12)21(29)27(6)7)23-19-20(26-32(30)25-19)24-18(22(3,4)5)15-11-9-13(2)31-15;1-7-15(17-10-14(11-31-17)12(2)3)23-20-21(26-32(30)25-20)24-16-9-8-13(4)18(19(16)28)22(29)27(5)6;1-6-14(16-9-12(10-31-16)11(2)3)23-19-20(26-32(30)25-19)24-15-8-7-13(22)17(18(15)28)21(29)27(4)5;1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6;;;;;/h7-11,14,31H,6H2,1-5H3,(H,26,28)(H,27,29);8-11,18,28H,1-7H3,(H,23,25)(H,24,26);8-12,15,28H,7H2,1-6H3,(H,23,25)(H,24,26);7-11,14,28H,6H2,1-5H3,(H,23,25)(H,24,26);7-11,17,27H,1-6H3,(H,22,24)(H,23,25);5*1H4/t14-,35?;18-,32?;15-,32?;14-,32?;17-,31?;;;;;/m10110...../s1.

What are the key properties of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane?

6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane has a molecular weight of 2482.89 g/mol, XLogP of 21.98, 26 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N,6-trimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;methane is sourced from PubChem (CID 158420742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158420742 — identifiers, structure, computed properties (public domain)

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