1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone

C17H16N4O2S — CID 91627678

IUPAC1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C17H16N4O2S/c22-17(16-19-13-6-1-2-7-14(13)24-16)21-10-4-5-12(11-21)23-15-8-3-9-18-20-15/h1-3,6-9,12H,4-5,10-11H2
InChIKeyJBPOJHCIFWJSNH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.77
Rot. Bonds3

About 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone

1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 91627678) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID91627678
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C17H16N4O2S/c22-17(16-19-13-6-1-2-7-14(13)24-16)21-10-4-5-12(11-21)23-15-8-3-9-18-20-15/h1-3,6-9,12H,4-5,10-11H2
InChIKeyJBPOJHCIFWJSNH-UHFFFAOYSA-N
XLogP2.77
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
1,3-benzothiazol-2-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267539
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 91627644
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 91627678) is 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone is O=C(c1nc2ccccc2s1)N1CCCC(Oc2cccnn2)C1.
What is the InChIKey of 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is JBPOJHCIFWJSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-17(16-19-13-6-1-2-7-14(13)24-16)21-10-4-5-12(11-21)23-15-8-3-9-18-20-15/h1-3,6-9,12H,4-5,10-11H2.
What are the key properties of 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91627678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).