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

C17H14N2OS2 — CID 30288651

IUPAC1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C17H14N2OS2/c1-12-4-6-13(7-5-12)15(20)11-22-17-9-8-14(18-19-17)16-3-2-10-21-16/h2-10H,11H2,1H3
InChIKeyGBJBCHZLIZSCRU-UHFFFAOYSA-N
MW326.45 g/mol
LogP4.49
Rot. Bonds5

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

1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 30288651) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID30288651
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC Name1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C17H14N2OS2/c1-12-4-6-13(7-5-12)15(20)11-22-17-9-8-14(18-19-17)16-3-2-10-21-16/h2-10H,11H2,1H3
InChIKeyGBJBCHZLIZSCRU-UHFFFAOYSA-N
XLogP4.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (CID 30288651) is 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is Cc1ccc(C(=O)CSc2ccc(-c3cccs3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is GBJBCHZLIZSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS2/c1-12-4-6-13(7-5-12)15(20)11-22-17-9-8-14(18-19-17)16-3-2-10-21-16/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 326.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 30288651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).