[4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C158H172F21N47O17S8 — CID 158717243

About [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 158717243) has the molecular formula C158H172F21N47O17S8 and a molecular weight of 3656.92 g/mol. Its IUPAC name is [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
• PubChem CID: 158717243
• Molecular Formula: C158H172F21N47O17S8
• Molecular Weight: 3656.92 g/mol
• Exact Mass: 3654.15
• IUPAC Name: [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
• SMILES: C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccncn4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nc(C)no4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nc5ccccc5o4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nc5ccccc5s4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ncccn4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nnc(C)o4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-n4ccnc4C)cc3C(F)(F)F)CC2)c1
• InChI: InChI=1S/C25H25F3N6O3S.C25H25F3N6O2S2.C22H26F3N7O2S.2C22H24F3N7O2S.2C21H24F3N7O3S/c2*1-38(2,36)31-19-14-29-34(16-19)24(35)33-11-9-32(10-12-33)15-18-8-7-17(13-20(18)25(26,27)28)23-30-21-5-3-4-6-22(21)37-23;1-16-26-6-7-31(16)19-5-4-17(20(12-19)22(23,24)25)14-29-8-10-30(11-9-29)21(33)32-15-18(13-27-32)28-35(2,3)34;1-35(2,34)29-18-13-28-32(15-18)21(33)31-10-8-30(9-11-31)14-17-5-4-16(12-19(17)22(23,24)25)20-26-6-3-7-27-20;1-35(2,34)29-18-12-28-32(14-18)21(33)31-9-7-30(8-10-31)13-17-4-3-16(11-19(17)22(23,24)25)20-5-6-26-15-27-20;1-14-26-27-19(34-14)15-4-5-16(18(10-15)21(22,23)24)12-29-6-8-30(9-7-29)20(32)31-13-17(11-25-31)28-35(2,3)33;1-14-26-19(34-27-14)15-4-5-16(18(10-15)21(22,23)24)12-29-6-8-30(9-7-29)20(32)31-13-17(11-25-31)28-35(2,3)33/h2*3-8,13-14,16H,1,9-12,15H2,2H3,(H,31,36);4-7,12-13,15H,2,8-11,14H2,1,3H3,(H,28,34);3-7,12-13,15H,1,8-11,14H2,2H3,(H,29,34);3-6,11-12,14-15H,1,7-10,13H2,2H3,(H,29,34);2*4-5,10-11,13H,2,6-9,12H2,1,3H3,(H,28,33)
• InChIKey: IJLRVEMATBLVBG-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 679.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 51
• Rotatable Bonds: 35
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3656.92
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The IUPAC name of [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 158717243) is [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccncn4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nc(C)no4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nc5ccccc5o4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nc5ccccc5s4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ncccn4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4nnc(C)o4)cc3C(F)(F)F)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-n4ccnc4C)cc3C(F)(F)F)CC2)c1.

What is the InChIKey of [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The InChIKey is IJLRVEMATBLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O3S.C25H25F3N6O2S2.C22H26F3N7O2S.2C22H24F3N7O2S.2C21H24F3N7O3S/c2*1-38(2,36)31-19-14-29-34(16-19)24(35)33-11-9-32(10-12-33)15-18-8-7-17(13-20(18)25(26,27)28)23-30-21-5-3-4-6-22(21)37-23;1-16-26-6-7-31(16)19-5-4-17(20(12-19)22(23,24)25)14-29-8-10-30(11-9-29)21(33)32-15-18(13-27-32)28-35(2,3)34;1-35(2,34)29-18-13-28-32(15-18)21(33)31-10-8-30(9-11-31)14-17-5-4-16(12-19(17)22(23,24)25)20-26-6-3-7-27-20;1-35(2,34)29-18-12-28-32(14-18)21(33)31-9-7-30(8-10-31)13-17-4-3-16(11-19(17)22(23,24)25)20-5-6-26-15-27-20;1-14-26-27-19(34-14)15-4-5-16(18(10-15)21(22,23)24)12-29-6-8-30(9-7-29)20(32)31-13-17(11-25-31)28-35(2,3)33;1-14-26-19(34-27-14)15-4-5-16(18(10-15)21(22,23)24)12-29-6-8-30(9-7-29)20(32)31-13-17(11-25-31)28-35(2,3)33/h2*3-8,13-14,16H,1,9-12,15H2,2H3,(H,31,36);4-7,12-13,15H,2,8-11,14H2,1,3H3,(H,28,34);3-7,12-13,15H,1,8-11,14H2,2H3,(H,29,34);3-6,11-12,14-15H,1,7-10,13H2,2H3,(H,29,34);2*4-5,10-11,13H,2,6-9,12H2,1,3H3,(H,28,33).

What are the key properties of [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

[4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 3656.92 g/mol, XLogP of 22.74, 35 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158717243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).