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

C21H22N4OS — CID 41233272

IUPAC2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1
InChIInChI=1S/C21H22N4OS/c1-16-4-2-5-17(14-16)15-21(26)25-11-9-24(10-12-25)20-8-7-18(22-23-20)19-6-3-13-27-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyXDOTVJBSRIDHHX-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.40
Rot. Bonds4

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

2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 41233272) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID41233272
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1
InChIInChI=1S/C21H22N4OS/c1-16-4-2-5-17(14-16)15-21(26)25-11-9-24(10-12-25)20-8-7-18(22-23-20)19-6-3-13-27-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyXDOTVJBSRIDHHX-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233311
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 94658873
(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058643
3-[2-oxo-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 121058657
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372
3-(3-methylphenyl)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122341628
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 110750502
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 121058652
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 41233272) is 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is XDOTVJBSRIDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-16-4-2-5-17(14-16)15-21(26)25-11-9-24(10-12-25)20-8-7-18(22-23-20)19-6-3-13-27-19/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 378.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41233272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).