(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone

C13H16N4O2S — CID 80519131

IUPAC(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2sc3nnccc3c2N)CC1
InChIInChI=1S/C13H16N4O2S/c1-19-8-3-6-17(7-4-8)13(18)11-10(14)9-2-5-15-16-12(9)20-11/h2,5,8H,3-4,6-7,14H2,1H3
InChIKeyIIQIHXDCKWBECK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.52
Rot. Bonds2

About (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone

(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 80519131) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID80519131
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2sc3nnccc3c2N)CC1
InChIInChI=1S/C13H16N4O2S/c1-19-8-3-6-17(7-4-8)13(18)11-10(14)9-2-5-15-16-12(9)20-11/h2,5,8H,3-4,6-7,14H2,1H3
InChIKeyIIQIHXDCKWBECK-UHFFFAOYSA-N
XLogP1.52
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone (CID 80519131) is (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2sc3nnccc3c2N)CC1.
What is the InChIKey of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is IIQIHXDCKWBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-19-8-3-6-17(7-4-8)13(18)11-10(14)9-2-5-15-16-12(9)20-11/h2,5,8H,3-4,6-7,14H2,1H3.
What are the key properties of (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 292.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 80519131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).