N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

C129H150F9N39O15S6 — CID 157250581

About N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 157250581) has the molecular formula C129H150F9N39O15S6 and a molecular weight of 2850.26 g/mol. Its IUPAC name is N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 157250581
• Molecular Formula: C129H150F9N39O15S6
• Molecular Weight: 2850.26 g/mol
• Exact Mass: 2848.04
• IUPAC Name: N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: C.CCCNC(=O)c1nnc(CCCCc2ccc(CC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)CCc3cccc(C(F)(F)F)c3)nn2)s1.CNC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(C)c3)s2)nn1.CS(=O)(=O)CCc1cn(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)nn1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(N)=O)nn3)s2)c1.O=C(Cc1ccccc1)Nc1nnc(CCCCCn2cc(C(=O)NCc3ccccc3)nn2)s1
• InChI: InChI=1S/C25H27N7O2S.C24H26F3N5O3S.C22H25F3N6O2S.C20H24F3N7O4S.C19H23N7O2S.C18H21N7O2S.CH4/c33-22(16-19-10-4-1-5-11-19)27-25-30-29-23(35-25)14-8-3-9-15-32-18-21(28-31-32)24(34)26-17-20-12-6-2-7-13-20;1-2-12-28-22(34)23-32-31-21(36-23)9-4-3-7-17-10-11-18(30-29-17)15-19(33)13-16-6-5-8-20(14-16)35-24(25,26)27;1-2-11-26-20(33)21-29-28-19(34-21)8-3-4-12-31-14-17(27-30-31)18(32)10-9-15-6-5-7-16(13-15)22(23,24)25;1-35(32,33)10-7-16-13-29(27-25-16)8-2-3-9-30-14-18(26-28-30)19(31)24-12-15-5-4-6-17(11-15)34-20(21,22)23;1-13-6-5-7-14(10-13)11-16(27)21-19-24-23-17(29-19)8-3-4-9-26-12-15(22-25-26)18(28)20-2;1-12-5-4-6-13(9-12)10-15(26)20-18-23-22-16(28-18)7-2-3-8-25-11-14(17(19)27)21-24-25;/h1-2,4-7,10-13,18H,3,8-9,14-17H2,(H,26,34)(H,27,30,33);5-6,8,10-11,14H,2-4,7,9,12-13,15H2,1H3,(H,28,34);5-7,13-14H,2-4,8-12H2,1H3,(H,26,33);4-6,11,13-14H,2-3,7-10,12H2,1H3,(H,24,31);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,20,28)(H,21,24,27);4-6,9,11H,2-3,7-8,10H2,1H3,(H2,19,27)(H,20,23,26);1H4
• InChIKey: AWHGEPLKDCVXSZ-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 701.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 50
• Rotatable Bonds: 67
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.26
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (CID 157250581) is N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is C.CCCNC(=O)c1nnc(CCCCc2ccc(CC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1.CCCNC(=O)c1nnc(CCCCn2cc(C(=O)CCc3cccc(C(F)(F)F)c3)nn2)s1.CNC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(C)c3)s2)nn1.CS(=O)(=O)CCc1cn(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)nn1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(N)=O)nn3)s2)c1.O=C(Cc1ccccc1)Nc1nnc(CCCCCn2cc(C(=O)NCc3ccccc3)nn2)s1.

What is the InChIKey of N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is AWHGEPLKDCVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S.C24H26F3N5O3S.C22H25F3N6O2S.C20H24F3N7O4S.C19H23N7O2S.C18H21N7O2S.CH4/c33-22(16-19-10-4-1-5-11-19)27-25-30-29-23(35-25)14-8-3-9-15-32-18-21(28-31-32)24(34)26-17-20-12-6-2-7-13-20;1-2-12-28-22(34)23-32-31-21(36-23)9-4-3-7-17-10-11-18(30-29-17)15-19(33)13-16-6-5-8-20(14-16)35-24(25,26)27;1-2-11-26-20(33)21-29-28-19(34-21)8-3-4-12-31-14-17(27-30-31)18(32)10-9-15-6-5-7-16(13-15)22(23,24)25;1-35(32,33)10-7-16-13-29(27-25-16)8-2-3-9-30-14-18(26-28-30)19(31)24-12-15-5-4-6-17(11-15)34-20(21,22)23;1-13-6-5-7-14(10-13)11-16(27)21-19-24-23-17(29-19)8-3-4-9-26-12-15(22-25-26)18(28)20-2;1-12-5-4-6-13(9-12)10-15(26)20-18-23-22-16(28-18)7-2-3-8-25-11-14(17(19)27)21-24-25;/h1-2,4-7,10-13,18H,3,8-9,14-17H2,(H,26,34)(H,27,30,33);5-6,8,10-11,14H,2-4,7,9,12-13,15H2,1H3,(H,28,34);5-7,13-14H,2-4,8-12H2,1H3,(H,26,33);4-6,11,13-14H,2-3,7-10,12H2,1H3,(H,24,31);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,20,28)(H,21,24,27);4-6,9,11H,2-3,7-8,10H2,1H3,(H2,19,27)(H,20,23,26);1H4.

What are the key properties of N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?

N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 2850.26 g/mol, XLogP of 18.21, 67 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 157250581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).