3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole

C22H32N6O2S2 — CID 10907744

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1
InChIInChI=1S/C22H32N6O2S2/c1-27-11-7-9-17(15-27)19-21(25-31-23-19)29-13-5-3-4-6-14-30-22-20(24-32-26-22)18-10-8-12-28(2)16-18/h9-10H,3-8,11-16H2,1-2H3
InChIKeyBVWNSRHZVHDVLM-UHFFFAOYSA-N
MW476.67 g/mol
LogP3.85
Rot. Bonds11

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole (PubChem CID 10907744) has the molecular formula C22H32N6O2S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole
PubChem CID10907744
Molecular FormulaC22H32N6O2S2
Molecular Weight476.67 g/mol
Exact Mass476.20
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1
InChIInChI=1S/C22H32N6O2S2/c1-27-11-7-9-17(15-27)19-21(25-31-23-19)29-13-5-3-4-6-14-30-22-20(24-32-26-22)18-10-8-12-28(2)16-18/h9-10H,3-8,11-16H2,1-2H3
InChIKeyBVWNSRHZVHDVLM-UHFFFAOYSA-N
XLogP3.85
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole (CID 10907744) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole is CN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole?
The InChIKey is BVWNSRHZVHDVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2S2/c1-27-11-7-9-17(15-27)19-21(25-31-23-19)29-13-5-3-4-6-14-30-22-20(24-32-26-22)18-10-8-12-28(2)16-18/h9-10H,3-8,11-16H2,1-2H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole has a molecular weight of 476.67 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 10907744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).