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

C17H14N2O2S2 — CID 20900459

IUPAC1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C17H14N2O2S2/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
InChIKeySVVSTHNQOLUAOB-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.19
Rot. Bonds6

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

1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 20900459) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID20900459
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C17H14N2O2S2/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
InChIKeySVVSTHNQOLUAOB-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 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (CID 20900459) is 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is COc1ccc(C(=O)CSc2ccc(-c3cccs3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is SVVSTHNQOLUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/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 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone 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 1-(4-methoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 20900459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).