2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C20H20N4O2S — CID 18569382

IUPAC2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H20N4O2S/c25-20(15-26-16-5-2-1-3-6-16)24-12-10-23(11-13-24)19-9-8-17(21-22-19)18-7-4-14-27-18/h1-9,14H,10-13,15H2
InChIKeyUGORXURQARXFPD-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.93
Rot. Bonds5

About 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 18569382) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID18569382
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H20N4O2S/c25-20(15-26-16-5-2-1-3-6-16)24-12-10-23(11-13-24)19-9-8-17(21-22-19)18-7-4-14-27-18/h1-9,14H,10-13,15H2
InChIKeyUGORXURQARXFPD-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 18569382) is 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is UGORXURQARXFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-20(15-26-16-5-2-1-3-6-16)24-12-10-23(11-13-24)19-9-8-17(21-22-19)18-7-4-14-27-18/h1-9,14H,10-13,15H2.
What are the key properties of 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 380.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18569382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).