[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C17H16N4O2S — CID 18569363

IUPAC[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C17H16N4O2S/c22-17(15-4-2-12-24-15)21-9-7-20(8-10-21)16-6-5-13(18-19-16)14-3-1-11-23-14/h1-6,11-12H,7-10H2
InChIKeyKCHHXCAJSNCRMR-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.76
Rot. Bonds3

About [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 18569363) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID18569363
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C17H16N4O2S/c22-17(15-4-2-12-24-15)21-9-7-20(8-10-21)16-6-5-13(18-19-16)14-3-1-11-23-14/h1-6,11-12H,7-10H2
InChIKeyKCHHXCAJSNCRMR-UHFFFAOYSA-N
XLogP2.76
TPSA62.47 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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 18569363) is [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KCHHXCAJSNCRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-17(15-4-2-12-24-15)21-9-7-20(8-10-21)16-6-5-13(18-19-16)14-3-1-11-23-14/h1-6,11-12H,7-10H2.
What are the key properties of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 340.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 18569363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).