N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide

C144H147F29N50O23S5 — CID 159811449

IUPACN-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CCNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.COCCCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.COCCNC(=O)c1nnc(CCC(F)Cn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3ccccn3)nn2)s1
InChIInChI=1S/C24H22F4N8O3S.C22H24F4N6O4S.C21H23F4N7O4S.C20H21F4N7O3S.C19H19F5N8O3.C19H20F4N8O3.C19H18F4N6O3S/c25-16(13-36-14-19(32-35-36)22(38)30-12-17-5-1-2-9-29-17)7-8-21-33-34-23(40-21)31-20(37)11-15-4-3-6-18(10-15)39-24(26,27)28;1-35-9-3-6-18(33)17-13-32(31-28-17)12-15(23)7-8-20-29-30-21(37-20)27-19(34)11-14-4-2-5-16(10-14)36-22(24,25)26;1-35-8-7-26-19(34)20-30-29-17(37-20)6-5-14(22)11-32-12-16(28-31-32)18(33)27-10-13-3-2-4-15(9-13)36-21(23,24)25;1-2-25-18(33)15-11-31(30-27-15)10-13(21)6-7-17-28-29-19(35-17)26-16(32)9-12-4-3-5-14(8-12)34-20(22,23)24;1-25-18(34)15-9-31(29-27-15)5-4-12(20)8-32-10-16(28-30-32)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24;1-24-18(33)15-10-30(28-26-15)6-5-13(20)9-31-11-16(27-29-31)25-17(32)8-12-3-2-4-14(7-12)34-19(21,22)23;1-11(30)15-10-29(28-25-15)9-13(20)5-6-17-26-27-18(33-17)24-16(31)8-12-3-2-4-14(7-12)32-19(21,22)23/h1-6,9-10,14,16H,7-8,11-13H2,(H,30,38)(H,31,34,37);2,4-5,10,13,15H,3,6-9,11-12H2,1H3,(H,27,30,34);2-4,9,12,14H,5-8,10-11H2,1H3,(H,26,34)(H,27,33);3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,25,33)(H,26,29,32);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33);2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,33)(H,25,32);2-4,7,10,13H,5-6,8-9H2,1H3,(H,24,27,31)
InChIKeyNLBQGXMDJCENIU-UHFFFAOYSA-N
MW3657.36 g/mol
LogP19.53
Rot. Bonds80

About N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide

N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 159811449) has the molecular formula C144H147F29N50O23S5 and a molecular weight of 3657.36 g/mol. Its IUPAC name is N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID159811449
Molecular FormulaC144H147F29N50O23S5
Molecular Weight3657.36 g/mol
Exact Mass3655.00
IUPAC NameN-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CCNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.COCCCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.COCCNC(=O)c1nnc(CCC(F)Cn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3ccccn3)nn2)s1
InChIInChI=1S/C24H22F4N8O3S.C22H24F4N6O4S.C21H23F4N7O4S.C20H21F4N7O3S.C19H19F5N8O3.C19H20F4N8O3.C19H18F4N6O3S/c25-16(13-36-14-19(32-35-36)22(38)30-12-17-5-1-2-9-29-17)7-8-21-33-34-23(40-21)31-20(37)11-15-4-3-6-18(10-15)39-24(26,27)28;1-35-9-3-6-18(33)17-13-32(31-28-17)12-15(23)7-8-20-29-30-21(37-20)27-19(34)11-14-4-2-5-16(10-14)36-22(24,25)26;1-35-8-7-26-19(34)20-30-29-17(37-20)6-5-14(22)11-32-12-16(28-31-32)18(33)27-10-13-3-2-4-15(9-13)36-21(23,24)25;1-2-25-18(33)15-11-31(30-27-15)10-13(21)6-7-17-28-29-19(35-17)26-16(32)9-12-4-3-5-14(8-12)34-20(22,23)24;1-25-18(34)15-9-31(29-27-15)5-4-12(20)8-32-10-16(28-30-32)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24;1-24-18(33)15-10-30(28-26-15)6-5-13(20)9-31-11-16(27-29-31)25-17(32)8-12-3-2-4-14(7-12)34-19(21,22)23;1-11(30)15-10-29(28-25-15)9-13(20)5-6-17-26-27-18(33-17)24-16(31)8-12-3-2-4-14(7-12)32-19(21,22)23/h1-6,9-10,14,16H,7-8,11-13H2,(H,30,38)(H,31,34,37);2,4-5,10,13,15H,3,6-9,11-12H2,1H3,(H,27,30,34);2-4,9,12,14H,5-8,10-11H2,1H3,(H,26,34)(H,27,33);3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,25,33)(H,26,29,32);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33);2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,33)(H,25,32);2-4,7,10,13H,5-6,8-9H2,1H3,(H,24,27,31)
InChIKeyNLBQGXMDJCENIU-UHFFFAOYSA-N
XLogP19.53
TPSA884.59 Ų
H-Bond Donors12
H-Bond Acceptors66
Rotatable Bonds80
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003657.36
LogP ≤ 519.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

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

Analyze N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide with MolForge

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Related Compounds

US10344025, Example 1
CID 118627275
US10344025, Example 19
CID 118640271
US10344025, Example 204
CID 118640347
US10344025, Example 223
CID 118640353
US10344025, Example 218
CID 118640591
US10344025, Example 537
CID 118640652
US10344025, Example 533
CID 118640654
US10344025, Example 559
CID 118640656
US10344025, Example 495
CID 118646434
US10344025, Example 206
CID 118646436
US10344025, Example 493
CID 118646489
US10344025, Example 517
CID 118646495

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide (CID 159811449) is N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide is CC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CCNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.COCCCC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.COCCNC(=O)c1nnc(CCC(F)Cn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCC(F)Cn2cc(C(=O)NCc3ccccn3)nn2)s1.
What is the InChIKey of N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NLBQGXMDJCENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8O3S.C22H24F4N6O4S.C21H23F4N7O4S.C20H21F4N7O3S.C19H19F5N8O3.C19H20F4N8O3.C19H18F4N6O3S/c25-16(13-36-14-19(32-35-36)22(38)30-12-17-5-1-2-9-29-17)7-8-21-33-34-23(40-21)31-20(37)11-15-4-3-6-18(10-15)39-24(26,27)28;1-35-9-3-6-18(33)17-13-32(31-28-17)12-15(23)7-8-20-29-30-21(37-20)27-19(34)11-14-4-2-5-16(10-14)36-22(24,25)26;1-35-8-7-26-19(34)20-30-29-17(37-20)6-5-14(22)11-32-12-16(28-31-32)18(33)27-10-13-3-2-4-15(9-13)36-21(23,24)25;1-2-25-18(33)15-11-31(30-27-15)10-13(21)6-7-17-28-29-19(35-17)26-16(32)9-12-4-3-5-14(8-12)34-20(22,23)24;1-25-18(34)15-9-31(29-27-15)5-4-12(20)8-32-10-16(28-30-32)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24;1-24-18(33)15-10-30(28-26-15)6-5-13(20)9-31-11-16(27-29-31)25-17(32)8-12-3-2-4-14(7-12)34-19(21,22)23;1-11(30)15-10-29(28-25-15)9-13(20)5-6-17-26-27-18(33-17)24-16(31)8-12-3-2-4-14(7-12)32-19(21,22)23/h1-6,9-10,14,16H,7-8,11-13H2,(H,30,38)(H,31,34,37);2,4-5,10,13,15H,3,6-9,11-12H2,1H3,(H,27,30,34);2-4,9,12,14H,5-8,10-11H2,1H3,(H,26,34)(H,27,33);3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,25,33)(H,26,29,32);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33);2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,24,33)(H,25,32);2-4,7,10,13H,5-6,8-9H2,1H3,(H,24,27,31).
What are the key properties of N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 3657.36 g/mol, XLogP of 19.53, 80 rotatable bonds, 12 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-ethyl-1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;N-[5-[3-fluoro-4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;1-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;5-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 159811449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).