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

C20H19BrN4OS — CID 41233311

IUPAC2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H19BrN4OS/c21-16-5-3-15(4-6-16)14-20(26)25-11-9-24(10-12-25)19-8-7-17(22-23-19)18-2-1-13-27-18/h1-8,13H,9-12,14H2
InChIKeyHGVYWCQPTHHGRW-UHFFFAOYSA-N
MW443.37 g/mol
LogP3.86
Rot. Bonds4

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

2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 41233311) has the molecular formula C20H19BrN4OS and a molecular weight of 443.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID41233311
Molecular FormulaC20H19BrN4OS
Molecular Weight443.37 g/mol
Exact Mass442.05
IUPAC Name2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H19BrN4OS/c21-16-5-3-15(4-6-16)14-20(26)25-11-9-24(10-12-25)19-8-7-17(22-23-19)18-2-1-13-27-18/h1-8,13H,9-12,14H2
InChIKeyHGVYWCQPTHHGRW-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233272
3-[2-oxo-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 121058657
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058643
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372
2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 26868722
2-(4-ethoxyphenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75528053
(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058655
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
(4-pentan-2-ylpiperazin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 20947299
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 41233311) is 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is HGVYWCQPTHHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4OS/c21-16-5-3-15(4-6-16)14-20(26)25-11-9-24(10-12-25)19-8-7-17(22-23-19)18-2-1-13-27-18/h1-8,13H,9-12,14H2.
What are the key properties of 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 443.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41233311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).