N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine

C20H22N6OS — CID 59333487

IUPACN-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESCn1ncc2c(Oc3ccc4nc(NCC5CCCCC5)sc4c3)cnnc21
InChIInChI=1S/C20H22N6OS/c1-26-19-15(11-23-26)17(12-22-25-19)27-14-7-8-16-18(9-14)28-20(24-16)21-10-13-5-3-2-4-6-13/h7-9,11-13H,2-6,10H2,1H3,(H,21,24)
InChIKeyIQTIFSJLXRTNGO-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.76
Rot. Bonds5

About N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine

N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine (PubChem CID 59333487) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine
PubChem CID59333487
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESCn1ncc2c(Oc3ccc4nc(NCC5CCCCC5)sc4c3)cnnc21
InChIInChI=1S/C20H22N6OS/c1-26-19-15(11-23-26)17(12-22-25-19)27-14-7-8-16-18(9-14)28-20(24-16)21-10-13-5-3-2-4-6-13/h7-9,11-13H,2-6,10H2,1H3,(H,21,24)
InChIKeyIQTIFSJLXRTNGO-UHFFFAOYSA-N
XLogP4.76
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
3-[[2-(cyclohexylmethylamino)-1,3-benzothiazol-6-yl]oxymethyl]pyridine-4-carboxamide
CID 91188332
6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79142087
(2S)-1-cyclohexyl-2-[(6-quinolin-4-yloxy-1,3-benzothiazol-2-yl)amino]propan-2-ol
CID 87421206
N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
N-(cyclohexylmethyl)-6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 71549589
N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 87658599

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine (CID 59333487) is N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine is Cn1ncc2c(Oc3ccc4nc(NCC5CCCCC5)sc4c3)cnnc21.
What is the InChIKey of N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine?
The InChIKey is IQTIFSJLXRTNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-26-19-15(11-23-26)17(12-22-25-19)27-14-7-8-16-18(9-14)28-20(24-16)21-10-13-5-3-2-4-6-13/h7-9,11-13H,2-6,10H2,1H3,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine?
N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine has a molecular weight of 394.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59333487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).