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

C137H189BrF6N30O24S6 — CID 158449809

IUPAC6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane
SMILESC.C.C.C.C.C.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)c1.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)c1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.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
InChIInChI=1S/C23H28F3N5O4S.C22H26F3N5O4S.2C22H29N5O4S.C21H26BrN5O4S.C21H27N5O4S.6CH4/c1-11(2)13-9-16(35-10-13)18(12(3)4)28-21-20(29-36(34)30-21)27-15-8-7-14(23(24,25)26)17(19(15)32)22(33)31(5)6;1-11-7-10-14(34-11)17(21(2,3)4)27-19-18(28-35(33)29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;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;1-12(2)14-10-17(31-11-14)18(13(3)4)24-21-20(25-32(30)26-21)23-16-9-7-8-15(19(16)28)22(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-32(30)26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;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;;;;;;/h7-12,18,32H,1-6H3,(H,27,29)(H,28,30);7-10,17,31H,1-6H3,(H,26,28)(H,27,29);8-11,18,28H,1-7H3,(H,23,25)(H,24,26);7-13,18,28H,1-6H3,(H,23,25)(H,24,26);7-10,17,28H,1-6H3,(H,23,25)(H,24,26);7-11,17,27H,1-6H3,(H,22,24)(H,23,25);6*1H4/t18-,36?;17-,35?;2*18-,32?;17-,32?;17-,31?;;;;;;/m100100....../s1
InChIKeyHDVMCGVDDXYBKN-MCLJIZGJSA-N
MW3026.50 g/mol
LogP26.82
Rot. Bonds28

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

6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane (PubChem CID 158449809) has the molecular formula C137H189BrF6N30O24S6 and a molecular weight of 3026.50 g/mol. Its IUPAC name is 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane.

Molecular Properties

Compound Name6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane
PubChem CID158449809
Molecular FormulaC137H189BrF6N30O24S6
Molecular Weight3026.50 g/mol
Exact Mass3023.19
IUPAC Name6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane
SMILESC.C.C.C.C.C.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)c1.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)c1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.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
InChIInChI=1S/C23H28F3N5O4S.C22H26F3N5O4S.2C22H29N5O4S.C21H26BrN5O4S.C21H27N5O4S.6CH4/c1-11(2)13-9-16(35-10-13)18(12(3)4)28-21-20(29-36(34)30-21)27-15-8-7-14(23(24,25)26)17(19(15)32)22(33)31(5)6;1-11-7-10-14(34-11)17(21(2,3)4)27-19-18(28-35(33)29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;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;1-12(2)14-10-17(31-11-14)18(13(3)4)24-21-20(25-32(30)26-21)23-16-9-7-8-15(19(16)28)22(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-32(30)26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;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;;;;;;/h7-12,18,32H,1-6H3,(H,27,29)(H,28,30);7-10,17,31H,1-6H3,(H,26,28)(H,27,29);8-11,18,28H,1-7H3,(H,23,25)(H,24,26);7-13,18,28H,1-6H3,(H,23,25)(H,24,26);7-10,17,28H,1-6H3,(H,23,25)(H,24,26);7-11,17,27H,1-6H3,(H,22,24)(H,23,25);6*1H4/t18-,36?;17-,35?;2*18-,32?;17-,32?;17-,31?;;;;;;/m100100....../s1
InChIKeyHDVMCGVDDXYBKN-MCLJIZGJSA-N
XLogP26.82
TPSA717.18 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003026.50
LogP ≤ 526.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
The IUPAC name of 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane (CID 158449809) is 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
The canonical SMILES for 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane is C.C.C.C.C.C.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)c1.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)c1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.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-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
The InChIKey is HDVMCGVDDXYBKN-MCLJIZGJSA-N. The full InChI is InChI=1S/C23H28F3N5O4S.C22H26F3N5O4S.2C22H29N5O4S.C21H26BrN5O4S.C21H27N5O4S.6CH4/c1-11(2)13-9-16(35-10-13)18(12(3)4)28-21-20(29-36(34)30-21)27-15-8-7-14(23(24,25)26)17(19(15)32)22(33)31(5)6;1-11-7-10-14(34-11)17(21(2,3)4)27-19-18(28-35(33)29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;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;1-12(2)14-10-17(31-11-14)18(13(3)4)24-21-20(25-32(30)26-21)23-16-9-7-8-15(19(16)28)22(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-32(30)26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;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;;;;;;/h7-12,18,32H,1-6H3,(H,27,29)(H,28,30);7-10,17,31H,1-6H3,(H,26,28)(H,27,29);8-11,18,28H,1-7H3,(H,23,25)(H,24,26);7-13,18,28H,1-6H3,(H,23,25)(H,24,26);7-10,17,28H,1-6H3,(H,23,25)(H,24,26);7-11,17,27H,1-6H3,(H,22,24)(H,23,25);6*1H4/t18-,36?;17-,35?;2*18-,32?;17-,32?;17-,31?;;;;;;/m100100....../s1.
What are the key properties of 6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
6-bromo-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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane has a molecular weight of 3026.50 g/mol, XLogP of 26.82, 28 rotatable bonds, 18 hydrogen bond donors, and 36 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]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-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-dimethyl-6-(trifluoromethyl)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,6-trimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 158449809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).