2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

C24H28N6O2S — CID 172775554

IUPAC2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc2ccc(Cc3cn4nc(N5CCOCC5)ccc4n3)cc2s1
InChIInChI=1S/C24H28N6O2S/c31-20-4-2-1-3-18(20)26-24-27-19-6-5-16(14-21(19)33-24)13-17-15-30-22(25-17)7-8-23(28-30)29-9-11-32-12-10-29/h5-8,14-15,18,20,31H,1-4,9-13H2,(H,26,27)
InChIKeyNNTHKKPSDXHZGJ-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.48
Rot. Bonds5

About 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 172775554) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID172775554
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc2ccc(Cc3cn4nc(N5CCOCC5)ccc4n3)cc2s1
InChIInChI=1S/C24H28N6O2S/c31-20-4-2-1-3-18(20)26-24-27-19-6-5-16(14-21(19)33-24)13-17-15-30-22(25-17)7-8-23(28-30)29-9-11-32-12-10-29/h5-8,14-15,18,20,31H,1-4,9-13H2,(H,26,27)
InChIKeyNNTHKKPSDXHZGJ-UHFFFAOYSA-N
XLogP3.48
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-2-[[6-[[6-(hydroxymethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498852
2-[[6-[[6-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78108525
trans-(1R,2R)-2-[[6-[[(1-hydroxy-2-methylimino-2-morpholin-4-ylethyl)-methylamino]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 126761267
2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78108240
(1R)-2-[[6-[[[6-(3-morpholin-4-ylprop-1-ynyl)pyrazin-2-yl]amino]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 134465652
trans-(1R,2R)-2-[[6-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498450
trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 86681153
2-[[6-[(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 172814895
2-[[6-[(5,6-difluorobenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89499106
trans-(1R,2R)-2-[[6-[(7-imidazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498268
trans-(1R,2R)-2-[[6-[(3-amino-2H-pyrazin-1-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 141368131
2-[[6-[(5-methylsulfonylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78107776

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (CID 172775554) is 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc2ccc(Cc3cn4nc(N5CCOCC5)ccc4n3)cc2s1.
What is the InChIKey of 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NNTHKKPSDXHZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c31-20-4-2-1-3-18(20)26-24-27-19-6-5-16(14-21(19)33-24)13-17-15-30-22(25-17)7-8-23(28-30)29-9-11-32-12-10-29/h5-8,14-15,18,20,31H,1-4,9-13H2,(H,26,27).
What are the key properties of 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 464.60 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 172775554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).