4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

C125H132F19N35S7 — CID 163417446

IUPAC4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
SMILESCC(F)(F)c1cccc(N2CCN(C(=S)N=C3Cc4ccccc4N3)CC2)c1.Cc1nc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n[nH]1.Cn1c(NC(=S)N2CCN(c3cccc(C(C)(F)F)c3)CC2)nc2ccccc21.FC(F)(F)c1cccc(N2CCN(C(=S)NCc3ccccn3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccn[nH]3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncc(-c4ccccc4)[nH]3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncn[nH]3)CC2)c1
InChIInChI=1S/C21H20F3N5S.C21H23F2N5S.C21H22F2N4S.C18H19F3N4S.C15H17F3N6S.C15H16F3N5S.C14H15F3N6S/c22-21(23,24)16-7-4-8-17(13-16)28-9-11-29(12-10-28)20(30)27-19-25-14-18(26-19)15-5-2-1-3-6-15;1-21(22,23)15-6-5-7-16(14-15)27-10-12-28(13-11-27)20(29)25-19-24-17-8-3-4-9-18(17)26(19)2;1-21(22,23)16-6-4-7-17(14-16)26-9-11-27(12-10-26)20(28)25-19-13-15-5-2-3-8-18(15)24-19;19-18(20,21)14-4-3-6-16(12-14)24-8-10-25(11-9-24)17(26)23-13-15-5-1-2-7-22-15;1-10-19-13(22-21-10)20-14(25)24-7-5-23(6-8-24)12-4-2-3-11(9-12)15(16,17)18;16-15(17,18)11-2-1-3-12(10-11)22-6-8-23(9-7-22)14(24)20-13-4-5-19-21-13;15-14(16,17)10-2-1-3-11(8-10)22-4-6-23(7-5-22)13(24)20-12-18-9-19-21-12/h1-8,13-14H,9-12H2,(H2,25,26,27,30);3-9,14H,10-13H2,1-2H3,(H,24,25,29);2-8,14H,9-13H2,1H3,(H,24,25,28);1-7,12H,8-11,13H2,(H,23,26);2-4,9H,5-8H2,1H3,(H2,19,20,21,22,25);1-5,10H,6-9H2,(H2,19,20,21,24);1-3,8-9H,4-7H2,(H2,18,19,20,21,24)
InChIKeyAFQKRYGBQZTRAB-UHFFFAOYSA-N
MW2710.11 g/mol
LogP24.33
Rot. Bonds17

About 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (PubChem CID 163417446) has the molecular formula C125H132F19N35S7 and a molecular weight of 2710.11 g/mol. Its IUPAC name is 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
PubChem CID163417446
Molecular FormulaC125H132F19N35S7
Molecular Weight2710.11 g/mol
Exact Mass2707.91
IUPAC Name4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
SMILESCC(F)(F)c1cccc(N2CCN(C(=S)N=C3Cc4ccccc4N3)CC2)c1.Cc1nc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n[nH]1.Cn1c(NC(=S)N2CCN(c3cccc(C(C)(F)F)c3)CC2)nc2ccccc21.FC(F)(F)c1cccc(N2CCN(C(=S)NCc3ccccn3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccn[nH]3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncc(-c4ccccc4)[nH]3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncn[nH]3)CC2)c1
InChIInChI=1S/C21H20F3N5S.C21H23F2N5S.C21H22F2N4S.C18H19F3N4S.C15H17F3N6S.C15H16F3N5S.C14H15F3N6S/c22-21(23,24)16-7-4-8-17(13-16)28-9-11-29(12-10-28)20(30)27-19-25-14-18(26-19)15-5-2-1-3-6-15;1-21(22,23)15-6-5-7-16(14-15)27-10-12-28(13-11-27)20(29)25-19-24-17-8-3-4-9-18(17)26(19)2;1-21(22,23)16-6-4-7-17(14-16)26-9-11-27(12-10-26)20(28)25-19-13-15-5-2-3-8-18(15)24-19;19-18(20,21)14-4-3-6-16(12-14)24-8-10-25(11-9-24)17(26)23-13-15-5-1-2-7-22-15;1-10-19-13(22-21-10)20-14(25)24-7-5-23(6-8-24)12-4-2-3-11(9-12)15(16,17)18;16-15(17,18)11-2-1-3-12(10-11)22-6-8-23(9-7-22)14(24)20-13-4-5-19-21-13;15-14(16,17)10-2-1-3-11(8-10)22-4-6-23(7-5-22)13(24)20-12-18-9-19-21-12/h1-8,13-14H,9-12H2,(H2,25,26,27,30);3-9,14H,10-13H2,1-2H3,(H,24,25,29);2-8,14H,9-13H2,1H3,(H,24,25,28);1-7,12H,8-11,13H2,(H,23,26);2-4,9H,5-8H2,1H3,(H2,19,20,21,22,25);1-5,10H,6-9H2,(H2,19,20,21,24);1-3,8-9H,4-7H2,(H2,18,19,20,21,24)
InChIKeyAFQKRYGBQZTRAB-UHFFFAOYSA-N
XLogP24.33
TPSA313.14 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002710.11
LogP ≤ 524.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide with MolForge

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Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214354
1-[[3-[(2,4-difluorophenyl)methyl-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-3-(5-methyl-1H-pyrazol-4-yl)propyl]-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-1-[2-[(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]ethyl]imidazolidin-1-ium-2-one
CID 87551145
2-[[3-[3-[[2-[(dipropylamino)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90718883
4-[5-[[[4-(5-amino-2-azabicyclo[2.2.2]octan-2-yl)-6-fluoro-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl]amino]methylamino]-2-azabicyclo[2.2.2]octan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine
CID 123836556
2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136227811
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136495866
N-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136496041
N-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136496042
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136496052
3-[4-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 136507045
N-[3-[2-[5-(5-amino-3-pyridinyl)-1-[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluoroanilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136631167

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CID 163417446) is 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
What is the SMILES notation for 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The canonical SMILES for 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is CC(F)(F)c1cccc(N2CCN(C(=S)N=C3Cc4ccccc4N3)CC2)c1.Cc1nc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n[nH]1.Cn1c(NC(=S)N2CCN(c3cccc(C(C)(F)F)c3)CC2)nc2ccccc21.FC(F)(F)c1cccc(N2CCN(C(=S)NCc3ccccn3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccn[nH]3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncc(-c4ccccc4)[nH]3)CC2)c1.FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncn[nH]3)CC2)c1.
What is the InChIKey of 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The InChIKey is AFQKRYGBQZTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5S.C21H23F2N5S.C21H22F2N4S.C18H19F3N4S.C15H17F3N6S.C15H16F3N5S.C14H15F3N6S/c22-21(23,24)16-7-4-8-17(13-16)28-9-11-29(12-10-28)20(30)27-19-25-14-18(26-19)15-5-2-1-3-6-15;1-21(22,23)15-6-5-7-16(14-15)27-10-12-28(13-11-27)20(29)25-19-24-17-8-3-4-9-18(17)26(19)2;1-21(22,23)16-6-4-7-17(14-16)26-9-11-27(12-10-26)20(28)25-19-13-15-5-2-3-8-18(15)24-19;19-18(20,21)14-4-3-6-16(12-14)24-8-10-25(11-9-24)17(26)23-13-15-5-1-2-7-22-15;1-10-19-13(22-21-10)20-14(25)24-7-5-23(6-8-24)12-4-2-3-11(9-12)15(16,17)18;16-15(17,18)11-2-1-3-12(10-11)22-6-8-23(9-7-22)14(24)20-13-4-5-19-21-13;15-14(16,17)10-2-1-3-11(8-10)22-4-6-23(7-5-22)13(24)20-12-18-9-19-21-12/h1-8,13-14H,9-12H2,(H2,25,26,27,30);3-9,14H,10-13H2,1-2H3,(H,24,25,29);2-8,14H,9-13H2,1H3,(H,24,25,28);1-7,12H,8-11,13H2,(H,23,26);2-4,9H,5-8H2,1H3,(H2,19,20,21,22,25);1-5,10H,6-9H2,(H2,19,20,21,24);1-3,8-9H,4-7H2,(H2,18,19,20,21,24).
What are the key properties of 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide has a molecular weight of 2710.11 g/mol, XLogP of 24.33, 17 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is sourced from PubChem (CID 163417446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).