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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

C133H157F3N42O11S5 — CID 158082245

About 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 158082245) has the molecular formula C133H157F3N42O11S5 and a molecular weight of 2737.33 g/mol. Its IUPAC name is 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;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-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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 158082245
• Molecular Formula: C133H157F3N42O11S5
• Molecular Weight: 2737.33 g/mol
• Exact Mass: 2735.16
• IUPAC Name: 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: 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.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(=O)NCc4cccnc4)nn3)s2)c1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(N)=O)nn3)s2)c1.Cc1cccc(CNC(=O)c2cn(CCCCc3cn(CC4CCN(C)CC4)nn3)nn2)c1.O=C(Cc1ccccc1)Nc1nnc(CCCCCn2cc(C(=O)CCc3ccccc3)nn2)s1
• InChI: InChI=1S/C26H28N6O2S.C24H26N8O2S.C24H34N8O.C22H25F3N6O2S.C19H23N7O2S.C18H21N7O2S/c33-23(16-15-20-10-4-1-5-11-20)22-19-32(31-28-22)17-9-3-8-14-25-29-30-26(35-25)27-24(34)18-21-12-6-2-7-13-21;1-17-6-4-7-18(12-17)13-21(33)27-24-30-29-22(35-24)9-2-3-11-32-16-20(28-31-32)23(34)26-15-19-8-5-10-25-14-19;1-19-6-5-7-21(14-19)15-25-24(33)23-18-31(29-27-23)11-4-3-8-22-17-32(28-26-22)16-20-9-12-30(2)13-10-20;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;1-13-6-5-7-14(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/h1-2,4-7,10-13,19H,3,8-9,14-18H2,(H,27,30,34);4-8,10,12,14,16H,2-3,9,11,13,15H2,1H3,(H,26,34)(H,27,30,33);5-7,14,17-18,20H,3-4,8-13,15-16H2,1-2H3,(H,25,33);5-7,13-14H,2-4,8-12H2,1H3,(H,26,33);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)
• InChIKey: FNCCIRUAVMODMY-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 670.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 49
• Rotatable Bonds: 64
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.33
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;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-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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (CID 158082245) is 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;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-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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;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-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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is 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.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(=O)NCc4cccnc4)nn3)s2)c1.Cc1cccc(CC(=O)Nc2nnc(CCCCn3cc(C(N)=O)nn3)s2)c1.Cc1cccc(CNC(=O)c2cn(CCCCc3cn(CC4CCN(C)CC4)nn3)nn2)c1.O=C(Cc1ccccc1)Nc1nnc(CCCCCn2cc(C(=O)CCc3ccccc3)nn2)s1.

What is the InChIKey of 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is FNCCIRUAVMODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S.C24H26N8O2S.C24H34N8O.C22H25F3N6O2S.C19H23N7O2S.C18H21N7O2S/c33-23(16-15-20-10-4-1-5-11-20)22-19-32(31-28-22)17-9-3-8-14-25-29-30-26(35-25)27-24(34)18-21-12-6-2-7-13-21;1-17-6-4-7-18(12-17)13-21(33)27-24-30-29-22(35-24)9-2-3-11-32-16-20(28-31-32)23(34)26-15-19-8-5-10-25-14-19;1-19-6-5-7-21(14-19)15-25-24(33)23-18-31(29-27-23)11-4-3-8-22-17-32(28-26-22)16-20-9-12-30(2)13-10-20;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;1-13-6-5-7-14(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/h1-2,4-7,10-13,19H,3,8-9,14-18H2,(H,27,30,34);4-8,10,12,14,16H,2-3,9,11,13,15H2,1H3,(H,26,34)(H,27,30,33);5-7,14,17-18,20H,3-4,8-13,15-16H2,1-2H3,(H,25,33);5-7,13-14H,2-4,8-12H2,1H3,(H,26,33);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).

What are the key properties of 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?

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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;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 2737.33 g/mol, XLogP of 17.85, 64 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;2-phenyl-N-[5-[5-[4-(3-phenylpropanoyl)triazol-1-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide;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 158082245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).