N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C107H129N37O6S6 — CID 162064160

About N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 162064160) has the molecular formula C107H129N37O6S6 and a molecular weight of 2221.86 g/mol. Its IUPAC name is N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
• PubChem CID: 162064160
• Molecular Formula: C107H129N37O6S6
• Molecular Weight: 2221.86 g/mol
• Exact Mass: 2219.93
• IUPAC Name: N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
• SMILES: CN(CCCNC(=O)c1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1.CN(CCCNCc1cc2ccccc2n1C)c1nc(-n2cccc2)ns1.CN(CCCNCc1ccc2[nH]ccc2c1)c1nc(-n2ccnc2)ns1.CN(CCCNCc1ccc2c(c1)OCCO2)c1nc(-n2ccnc2)ns1.CN(CCCNCc1ccccc1)c1nc(-n2ccnc2)ns1.COc1cc(C)ccc1CNCCCN(C)c1nc(-n2ccnc2)ns1
• InChI: InChI=1S/C20H24N6S.C18H21N7S.C18H22N6O2S.C18H24N6OS.C17H18N6O3S.C16H20N6S/c1-24(20-22-19(23-27-20)26-12-5-6-13-26)11-7-10-21-15-17-14-16-8-3-4-9-18(16)25(17)2;1-24(18-22-17(23-26-18)25-10-8-20-13-25)9-2-6-19-12-14-3-4-16-15(11-14)5-7-21-16;1-23(18-21-17(22-27-18)24-8-6-20-13-24)7-2-5-19-12-14-3-4-15-16(11-14)26-10-9-25-15;1-14-5-6-15(16(11-14)25-3)12-19-7-4-9-23(2)18-21-17(22-26-18)24-10-8-20-13-24;1-22(17-20-16(21-27-17)23-8-6-18-10-23)7-2-5-19-15(24)12-3-4-13-14(9-12)26-11-25-13;1-21(10-5-8-17-12-14-6-3-2-4-7-14)16-19-15(20-23-16)22-11-9-18-13-22/h3-6,8-9,12-14,21H,7,10-11,15H2,1-2H3;3-5,7-8,10-11,13,19,21H,2,6,9,12H2,1H3;3-4,6,8,11,13,19H,2,5,7,9-10,12H2,1H3;5-6,8,10-11,13,19H,4,7,9,12H2,1-3H3;3-4,6,8-10H,2,5,7,11H2,1H3,(H,19,24);2-4,6-7,9,11,13,17H,5,8,10,12H2,1H3
• InChIKey: ZAFSPRVODOEVEZ-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 424.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 47
• Rotatable Bonds: 48
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.86
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?

The IUPAC name of N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 162064160) is N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

What is the SMILES notation for N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?

The canonical SMILES for N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CN(CCCNC(=O)c1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1.CN(CCCNCc1cc2ccccc2n1C)c1nc(-n2cccc2)ns1.CN(CCCNCc1ccc2[nH]ccc2c1)c1nc(-n2ccnc2)ns1.CN(CCCNCc1ccc2c(c1)OCCO2)c1nc(-n2ccnc2)ns1.CN(CCCNCc1ccccc1)c1nc(-n2ccnc2)ns1.COc1cc(C)ccc1CNCCCN(C)c1nc(-n2ccnc2)ns1.

What is the InChIKey of N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?

The InChIKey is ZAFSPRVODOEVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S.C18H21N7S.C18H22N6O2S.C18H24N6OS.C17H18N6O3S.C16H20N6S/c1-24(20-22-19(23-27-20)26-12-5-6-13-26)11-7-10-21-15-17-14-16-8-3-4-9-18(16)25(17)2;1-24(18-22-17(23-26-18)25-10-8-20-13-25)9-2-6-19-12-14-3-4-16-15(11-14)5-7-21-16;1-23(18-21-17(22-27-18)24-8-6-20-13-24)7-2-5-19-12-14-3-4-15-16(11-14)26-10-9-25-15;1-14-5-6-15(16(11-14)25-3)12-19-7-4-9-23(2)18-21-17(22-26-18)24-10-8-20-13-24;1-22(17-20-16(21-27-17)23-8-6-18-10-23)7-2-5-19-15(24)12-3-4-13-14(9-12)26-11-25-13;1-21(10-5-8-17-12-14-6-3-2-4-7-14)16-19-15(20-23-16)22-11-9-18-13-22/h3-6,8-9,12-14,21H,7,10-11,15H2,1-2H3;3-5,7-8,10-11,13,19,21H,2,6,9,12H2,1H3;3-4,6,8,11,13,19H,2,5,7,9-10,12H2,1H3;5-6,8,10-11,13,19H,4,7,9,12H2,1-3H3;3-4,6,8-10H,2,5,7,11H2,1H3,(H,19,24);2-4,6-7,9,11,13,17H,5,8,10,12H2,1H3.

What are the key properties of N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?

N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 2221.86 g/mol, XLogP of 15.07, 48 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-(1H-indol-5-ylmethyl)-N'-methylpropane-1,3-diamine;N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(2-methoxy-4-methylphenyl)methyl]-N'-methylpropane-1,3-diamine;N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide;N'-methyl-N-[(1-methylindol-2-yl)methyl]-N'-(3-pyrrol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 162064160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).