1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

C16H20N4O2S — CID 16883530

IUPAC1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCCOc1ccc(N2CCN(C(=O)Cc3cccs3)CC2)nn1
InChIInChI=1S/C16H20N4O2S/c1-2-22-15-6-5-14(17-18-15)19-7-9-20(10-8-19)16(21)12-13-4-3-11-23-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyRGLOBLONKKSTGI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.83
Rot. Bonds5

About 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 16883530) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID16883530
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCCOc1ccc(N2CCN(C(=O)Cc3cccs3)CC2)nn1
InChIInChI=1S/C16H20N4O2S/c1-2-22-15-6-5-14(17-18-15)19-7-9-20(10-8-19)16(21)12-13-4-3-11-23-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyRGLOBLONKKSTGI-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 16883527
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 16883534
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 154581669
2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78772449
1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91818391
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108546404
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 42111036
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 16883530) is 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone is CCOc1ccc(N2CCN(C(=O)Cc3cccs3)CC2)nn1.
What is the InChIKey of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is RGLOBLONKKSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-22-15-6-5-14(17-18-15)19-7-9-20(10-8-19)16(21)12-13-4-3-11-23-13/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 332.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 16883530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).