N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide

C109H108N28O6S8 — CID 159307771

About N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide

N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide (PubChem CID 159307771) has the molecular formula C109H108N28O6S8 and a molecular weight of 2162.79 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide.

Molecular Properties

• Compound Name: N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide
• PubChem CID: 159307771
• Molecular Formula: C109H108N28O6S8
• Molecular Weight: 2162.79 g/mol
• Exact Mass: 2160.68
• IUPAC Name: N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide
• SMILES: CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1.Cc1ccc(-n2cc(-c3ccco3)nc2SCC2=NCC(=S)N2Cc2ccccc2)cc1.Cc1ccc(-n2cc(-c3cccs3)nc2SCC2=NCC(=S)N2Cc2ccccc2)cc1.NCCn1cnnc1NC(=O)c1nc(-c2ccncc2)cn1-c1ccccc1.c1ccc(Cn2nnc3c(Sc4nnc(-c5ccncc5)o4)ncnc32)cc1
• InChI: InChI=1S/C25H22N4OS2.C25H22N4S3.C22H34N4O3S2.C19H18N8O.C18H12N8OS/c1-18-9-11-20(12-10-18)28-16-21(22-8-5-13-30-22)27-25(28)32-17-23-26-14-24(31)29(23)15-19-6-3-2-4-7-19;1-18-9-11-20(12-10-18)28-16-21(22-8-5-13-31-22)27-25(28)32-17-23-26-14-24(30)29(23)15-19-6-3-2-4-7-19;1-4-5-6-7-8-9-10-11-20(27)23-18-12-14-19(15-13-18)31(28,29)26-22-25-24-21(30-22)16-17(2)3;20-8-11-26-13-22-25-19(26)24-18(28)17-23-16(14-6-9-21-10-7-14)12-27(17)15-4-2-1-3-5-15;1-2-4-12(5-3-1)10-26-15-14(22-25-26)17(21-11-20-15)28-18-24-23-16(27-18)13-6-8-19-9-7-13/h2*2-13,16H,14-15,17H2,1H3;12-15,17H,4-11,16H2,1-3H3,(H,23,27)(H,25,26);1-7,9-10,12-13H,8,11,20H2,(H,24,25,28);1-9,11H,10H2
• InChIKey: LCDFFILMEVZNLG-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 405.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.79
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?

The IUPAC name of N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide (CID 159307771) is N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide.

What is the SMILES notation for N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?

The canonical SMILES for N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1.Cc1ccc(-n2cc(-c3ccco3)nc2SCC2=NCC(=S)N2Cc2ccccc2)cc1.Cc1ccc(-n2cc(-c3cccs3)nc2SCC2=NCC(=S)N2Cc2ccccc2)cc1.NCCn1cnnc1NC(=O)c1nc(-c2ccncc2)cn1-c1ccccc1.c1ccc(Cn2nnc3c(Sc4nnc(-c5ccncc5)o4)ncnc32)cc1.

What is the InChIKey of N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?

The InChIKey is LCDFFILMEVZNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS2.C25H22N4S3.C22H34N4O3S2.C19H18N8O.C18H12N8OS/c1-18-9-11-20(12-10-18)28-16-21(22-8-5-13-30-22)27-25(28)32-17-23-26-14-24(31)29(23)15-19-6-3-2-4-7-19;1-18-9-11-20(12-10-18)28-16-21(22-8-5-13-31-22)27-25(28)32-17-23-26-14-24(30)29(23)15-19-6-3-2-4-7-19;1-4-5-6-7-8-9-10-11-20(27)23-18-12-14-19(15-13-18)31(28,29)26-22-25-24-21(30-22)16-17(2)3;20-8-11-26-13-22-25-19(26)24-18(28)17-23-16(14-6-9-21-10-7-14)12-27(17)15-4-2-1-3-5-15;1-2-4-12(5-3-1)10-26-15-14(22-25-26)17(21-11-20-15)28-18-24-23-16(27-18)13-6-8-19-9-7-13/h2*2-13,16H,14-15,17H2,1H3;12-15,17H,4-11,16H2,1-3H3,(H,23,27)(H,25,26);1-7,9-10,12-13H,8,11,20H2,(H,24,25,28);1-9,11H,10H2.

What are the key properties of N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide?

N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide has a molecular weight of 2162.79 g/mol, XLogP of 22.24, 39 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide is sourced from PubChem (CID 159307771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).