2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole

C19H20N6S — CID 163345219

IUPAC2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCN(c4ccc5nccn5n4)CC3)sc2c1
InChIInChI=1S/C19H20N6S/c1-13-11-14(2)18-15(12-13)26-19(21-18)24-9-7-23(8-10-24)17-4-3-16-20-5-6-25(16)22-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyCZINUKNNSFRFPS-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole

2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole (PubChem CID 163345219) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
PubChem CID163345219
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCN(c4ccc5nccn5n4)CC3)sc2c1
InChIInChI=1S/C19H20N6S/c1-13-11-14(2)18-15(12-13)26-19(21-18)24-9-7-23(8-10-24)17-4-3-16-20-5-6-25(16)22-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyCZINUKNNSFRFPS-UHFFFAOYSA-N
XLogP3.28
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole with MolForge

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Related Compounds

2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 163348324
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941703
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
CID 138054597
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587
6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310574
7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155975195

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole (CID 163345219) is 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole is Cc1cc(C)c2nc(N3CCN(c4ccc5nccn5n4)CC3)sc2c1.
What is the InChIKey of 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole?
The InChIKey is CZINUKNNSFRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-13-11-14(2)18-15(12-13)26-19(21-18)24-9-7-23(8-10-24)17-4-3-16-20-5-6-25(16)22-17/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole?
2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole has a molecular weight of 364.48 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 163345219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).