3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole

C76H86ClN27O8S9+2 — CID 161247157

About 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole

3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole (PubChem CID 161247157) has the molecular formula C76H86ClN27O8S9+2 and a molecular weight of 1829.76 g/mol. Its IUPAC name is 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole.

Molecular Properties

• Compound Name: 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole
• PubChem CID: 161247157
• Molecular Formula: C76H86ClN27O8S9+2
• Molecular Weight: 1829.76 g/mol
• Exact Mass: 1827.43
• IUPAC Name: 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole
• SMILES: C.C.C.CN1CCC=C(c2nsnc2OCOc2nsnc2C2=CCCN(C)C2)C1.CN1CCC=C(c2nsnc2OCOc2nsnc2C2=CCCN(C)C2)C1.C[n+]1cccc(-c2nsnc2OCOc2nsnc2-c2ccc[n+](C)c2)c1.Clc1nsnc1-c1cccnc1.c1cncc(-c2nsnc2OCOc2nsnc2-c2cccnc2)c1
• InChI: InChI=1S/2C17H22N6O2S2.C17H16N6O2S2.C15H10N6O2S2.C7H4ClN3S.3CH4/c3*1-22-7-3-5-12(9-22)14-16(20-26-18-14)24-11-25-17-15(19-27-21-17)13-6-4-8-23(2)10-13;1-3-10(7-16-5-1)12-14(20-24-18-12)22-9-23-15-13(19-25-21-15)11-4-2-6-17-8-11;8-7-6(10-12-11-7)5-2-1-3-9-4-5;;;/h2*5-6H,3-4,7-11H2,1-2H3;3-10H,11H2,1-2H3;1-8H,9H2;1-4H;3*1H4/q;;+2
• InChIKey: VAUDZYYPNCDDPY-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 365.25 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.76
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole?

The IUPAC name of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole (CID 161247157) is 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole.

What is the SMILES notation for 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole?

The canonical SMILES for 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole is C.C.C.CN1CCC=C(c2nsnc2OCOc2nsnc2C2=CCCN(C)C2)C1.CN1CCC=C(c2nsnc2OCOc2nsnc2C2=CCCN(C)C2)C1.C[n+]1cccc(-c2nsnc2OCOc2nsnc2-c2ccc[n+](C)c2)c1.Clc1nsnc1-c1cccnc1.c1cncc(-c2nsnc2OCOc2nsnc2-c2cccnc2)c1.

What is the InChIKey of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole?

The InChIKey is VAUDZYYPNCDDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H22N6O2S2.C17H16N6O2S2.C15H10N6O2S2.C7H4ClN3S.3CH4/c3*1-22-7-3-5-12(9-22)14-16(20-26-18-14)24-11-25-17-15(19-27-21-17)13-6-4-8-23(2)10-13;1-3-10(7-16-5-1)12-14(20-24-18-12)22-9-23-15-13(19-25-21-15)11-4-2-6-17-8-11;8-7-6(10-12-11-7)5-2-1-3-9-4-5;;;/h2*5-6H,3-4,7-11H2,1-2H3;3-10H,11H2,1-2H3;1-8H,9H2;1-4H;3*1H4/q;;+2;;;;;.

What are the key properties of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole?

3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole has a molecular weight of 1829.76 g/mol, XLogP of 13.36, 25 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 161247157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).