3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

C163H187BrCl2F3N35O31S10 — CID 159720176

About 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 159720176) has the molecular formula C163H187BrCl2F3N35O31S10 and a molecular weight of 3660.98 g/mol. Its IUPAC name is 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
• PubChem CID: 159720176
• Molecular Formula: C163H187BrCl2F3N35O31S10
• Molecular Weight: 3660.98 g/mol
• Exact Mass: 3655.99
• IUPAC Name: 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
• SMILES: CC(C)(C)[C@@H](Nc1nsnc1Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O)c1ccc2c(c1)OCO2.CC(C)(C)[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N2CCCC2)c1O)c1ccc2c(c1)OCO2.CC(C)[C@@H](Nc1nsnc1Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O)c1ccc2c(c1)OCO2.CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc2c(c1)OCO2.CN(C)C(=O)c1c(Br)ccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)C(=O)c1c(C(F)(F)F)ccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O
• InChI: InChI=1S/C24H28ClN5O5S2.C24H26F3N5O4S.C24H29N5O5S2.C23H26BrN5O4S.C23H26ClN5O5S2.C23H27N5O4S.C22H25N5O4S/c1-24(2,3)21(14-6-9-17-18(12-14)35-13-34-17)27-23-22(28-36-29-23)26-16-8-7-15(25)20(19(16)31)37(32,33)30-10-4-5-11-30;1-23(2,3)19(12-6-9-15-16(10-12)36-11-35-15)29-21-20(30-37-31-21)28-14-8-7-13(24(25,26)27)17(18(14)33)22(34)32(4)5;1-24(2,3)21(15-9-10-17-18(13-15)34-14-33-17)26-23-22(27-35-28-23)25-16-7-6-8-19(20(16)30)36(31,32)29-11-4-5-12-29;1-23(2,3)19(12-6-9-15-16(10-12)33-11-32-15)26-21-20(27-34-28-21)25-14-8-7-13(24)17(18(14)30)22(31)29(4)5;1-13(2)19(14-5-8-17-18(11-14)34-12-33-17)26-23-22(27-35-28-23)25-16-7-6-15(24)21(20(16)30)36(31,32)29-9-3-4-10-29;1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5;1-12(2)18(13-8-9-16-17(10-13)31-11-30-16)24-21-20(25-32-26-21)23-15-7-5-6-14(19(15)28)22(29)27(3)4/h6-9,12,21,31H,4-5,10-11,13H2,1-3H3,(H,26,28)(H,27,29);6-10,19,33H,11H2,1-5H3,(H,28,30)(H,29,31);6-10,13,21,30H,4-5,11-12,14H2,1-3H3,(H,25,27)(H,26,28);6-10,19,30H,11H2,1-5H3,(H,25,27)(H,26,28);5-8,11,13,19,30H,3-4,9-10,12H2,1-2H3,(H,25,27)(H,26,28);6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27);5-10,12,18,28H,11H2,1-4H3,(H,23,25)(H,24,26)/t21-;19-;21-;3*19-;18-/m0000101/s1
• InChIKey: MZXYPHFYKUDNFU-AWDYGJMTSA-N
• XLogP: 34.88
• TPSA: 813.09 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 66
• Rotatable Bonds: 47
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3660.98
LogP ≤ 5	34.88
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

The IUPAC name of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 159720176) is 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

What is the SMILES notation for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

The canonical SMILES for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CC(C)(C)[C@@H](Nc1nsnc1Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O)c1ccc2c(c1)OCO2.CC(C)(C)[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N2CCCC2)c1O)c1ccc2c(c1)OCO2.CC(C)[C@@H](Nc1nsnc1Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O)c1ccc2c(c1)OCO2.CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc2c(c1)OCO2.CN(C)C(=O)c1c(Br)ccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)C(=O)c1c(C(F)(F)F)ccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.

What is the InChIKey of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

The InChIKey is MZXYPHFYKUDNFU-AWDYGJMTSA-N. The full InChI is InChI=1S/C24H28ClN5O5S2.C24H26F3N5O4S.C24H29N5O5S2.C23H26BrN5O4S.C23H26ClN5O5S2.C23H27N5O4S.C22H25N5O4S/c1-24(2,3)21(14-6-9-17-18(12-14)35-13-34-17)27-23-22(28-36-29-23)26-16-8-7-15(25)20(19(16)31)37(32,33)30-10-4-5-11-30;1-23(2,3)19(12-6-9-15-16(10-12)36-11-35-15)29-21-20(30-37-31-21)28-14-8-7-13(24(25,26)27)17(18(14)33)22(34)32(4)5;1-24(2,3)21(15-9-10-17-18(13-15)34-14-33-17)26-23-22(27-35-28-23)25-16-7-6-8-19(20(16)30)36(31,32)29-11-4-5-12-29;1-23(2,3)19(12-6-9-15-16(10-12)33-11-32-15)26-21-20(27-34-28-21)25-14-8-7-13(24)17(18(14)30)22(31)29(4)5;1-13(2)19(14-5-8-17-18(11-14)34-12-33-17)26-23-22(27-35-28-23)25-16-7-6-15(24)21(20(16)30)36(31,32)29-9-3-4-10-29;1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5;1-12(2)18(13-8-9-16-17(10-13)31-11-30-16)24-21-20(25-32-26-21)23-15-7-5-6-14(19(15)28)22(29)27(3)4/h6-9,12,21,31H,4-5,10-11,13H2,1-3H3,(H,26,28)(H,27,29);6-10,19,33H,11H2,1-5H3,(H,28,30)(H,29,31);6-10,13,21,30H,4-5,11-12,14H2,1-3H3,(H,25,27)(H,26,28);6-10,19,30H,11H2,1-5H3,(H,25,27)(H,26,28);5-8,11,13,19,30H,3-4,9-10,12H2,1-2H3,(H,25,27)(H,26,28);6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27);5-10,12,18,28H,11H2,1-4H3,(H,23,25)(H,24,26)/t21-;19-;21-;3*19-;18-/m0000101/s1.

What are the key properties of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 3660.98 g/mol, XLogP of 34.88, 47 rotatable bonds, 21 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol;6-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-chloro-2-pyrrolidin-1-ylsulfonylphenol;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 159720176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).