3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole

C15H19N7OS — CID 163344412

IUPAC3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1
InChIInChI=1S/C15H19N7OS/c1-11-9-22-13(16-11)3-4-14(18-22)20-5-7-21(8-6-20)15-17-12(10-23-2)19-24-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyOYJXDGQHOBQGAY-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.36
Rot. Bonds4

About 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 163344412) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID163344412
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1
InChIInChI=1S/C15H19N7OS/c1-11-9-22-13(16-11)3-4-14(18-22)20-5-7-21(8-6-20)15-17-12(10-23-2)19-24-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyOYJXDGQHOBQGAY-UHFFFAOYSA-N
XLogP1.36
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171335535
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazine
CID 155974777
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
3-(methoxymethyl)-5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 154882638
3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975191
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352350
3-(methoxymethyl)-5-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163352124
5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 155975009
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133348216
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 163344412) is 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is OYJXDGQHOBQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-11-9-22-13(16-11)3-4-14(18-22)20-5-7-21(8-6-20)15-17-12(10-23-2)19-24-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 345.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 163344412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).