1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

C16H11FN2OS2 — CID 20900463

IUPAC1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS2/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2
InChIKeyGEIBQLDOPVRGPF-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 20900463) has the molecular formula C16H11FN2OS2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID20900463
Molecular FormulaC16H11FN2OS2
Molecular Weight330.41 g/mol
Exact Mass330.03
IUPAC Name1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS2/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2
InChIKeyGEIBQLDOPVRGPF-UHFFFAOYSA-N
XLogP4.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 7207253
7-Phenyl-1-(6-(thiophen-2-yl)-pyridazin-3-yl)-heptan-1-one
CID 24951321
1-Phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205727
1-Phenyl-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
CID 7206012
3-((4-Fluorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 12006199
N-(4-acetylphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16019272
2-(6-Phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
CID 7205744
2-((6-Phenylpyridazin-3-yl)thio)-1-(p-tolyl)ethanone
CID 7205740
3-((3-Fluorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 16019237
2-[6-(4-Chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7205803
1-(4-Fluorophenyl)-2-((6-(3-nitrophenyl)pyridazin-3-yl)thio)ethanone
CID 7205915
1-Phenyl-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)ethanone
CID 6624187

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (CID 20900463) is 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2cccs2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is GEIBQLDOPVRGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS2/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2.
What are the key properties of 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 330.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 20900463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).