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

C18H16N2O3S2 — CID 7205831

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1OC
InChIInChI=1S/C18H16N2O3S2/c1-22-15-7-5-12(10-16(15)23-2)13-6-8-18(20-19-13)25-11-14(21)17-4-3-9-24-17/h3-10H,11H2,1-2H3
InChIKeyBSONOAGJIJWZHQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.20
Rot. Bonds7

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

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 7205831) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID7205831
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1OC
InChIInChI=1S/C18H16N2O3S2/c1-22-15-7-5-12(10-16(15)23-2)13-6-8-18(20-19-13)25-11-14(21)17-4-3-9-24-17/h3-10H,11H2,1-2H3
InChIKeyBSONOAGJIJWZHQ-UHFFFAOYSA-N
XLogP4.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7205820
2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7205828
2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
1-(4-Methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205728
N-(3,4-dimethoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16194096
2-[6-(3-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7206253
3-(3,4-Dimethoxyphenyl)-6-((2-fluorobenzyl)thio)pyridazine
CID 7205808
3-(3,4-Dimethoxyphenyl)-6-((4-fluorobenzyl)thio)pyridazine
CID 7205810
2-[6-(1,3-Benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7206325
3-(3,4-Dimethoxyphenyl)-6-(methylthio)pyridazine
CID 3227975
2-[6-(4-Ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7205959
2-[6-(4-Ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205972

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (CID 7205831) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is COc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is BSONOAGJIJWZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-22-15-7-5-12(10-16(15)23-2)13-6-8-18(20-19-13)25-11-14(21)17-4-3-9-24-17/h3-10H,11H2,1-2H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 372.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 7205831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).