2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone

C17H14N2O3S — CID 7207238

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C17H14N2O3S/c1-21-13-6-4-12(5-7-13)15(20)11-23-17-9-8-14(18-19-17)16-3-2-10-22-16/h2-10H,11H2,1H3
InChIKeyLCTHCZSPSBBHKP-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.72
Rot. Bonds6

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone (PubChem CID 7207238) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
PubChem CID7207238
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C17H14N2O3S/c1-21-13-6-4-12(5-7-13)15(20)11-23-17-9-8-14(18-19-17)16-3-2-10-22-16/h2-10H,11H2,1H3
InChIKeyLCTHCZSPSBBHKP-UHFFFAOYSA-N
XLogP3.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207095
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7207115
1-(6-(Furan-2-yl)-pyridazin-3-yl)-7-phenylheptan-1-one
CID 24950527
3-(Furan-2-yl)-6-(methylsulfanyl)pyridazine
CID 6624109
N-Furan-2-ylmethyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 644447
3-Benzylsulfanyl-6-(furan-2-yl)pyridazine
CID 6624186
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223
1-(4-Methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205728
3-[(3-Fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
CID 7207093
3-(Furan-2-yl)-6-((4-methylbenzyl)thio)pyridazine
CID 7207103
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 7207110

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone (CID 7207238) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone?
The InChIKey is LCTHCZSPSBBHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-21-13-6-4-12(5-7-13)15(20)11-23-17-9-8-14(18-19-17)16-3-2-10-22-16/h2-10H,11H2,1H3.
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone has a molecular weight of 326.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 7207238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).