2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone

C17H14N2O2S2 — CID 7205890

IUPAC2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-21-13-6-4-12(5-7-13)14-8-9-17(19-18-14)23-11-15(20)16-3-2-10-22-16/h2-10H,11H2,1H3
InChIKeyOCIJFLMANKATAR-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.19
Rot. Bonds6

About 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone

2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 7205890) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID7205890
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-21-13-6-4-12(5-7-13)14-8-9-17(19-18-14)23-11-15(20)16-3-2-10-22-16/h2-10H,11H2,1H3
InChIKeyOCIJFLMANKATAR-UHFFFAOYSA-N
XLogP4.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (CID 7205890) is 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is COc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is OCIJFLMANKATAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-21-13-6-4-12(5-7-13)14-8-9-17(19-18-14)23-11-15(20)16-3-2-10-22-16/h2-10H,11H2,1H3.
What are the key properties of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 342.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 7205890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).