2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone

C16H14N4O2S — CID 121031340

IUPAC2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-13-4-2-12(3-5-13)14(21)10-23-16-7-6-15(18-19-16)20-9-8-17-11-20/h2-9,11H,10H2,1H3
InChIKeyPXDHOTHXFAUYME-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.65
Rot. Bonds6

About 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone

2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone (PubChem CID 121031340) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
PubChem CID121031340
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-13-4-2-12(3-5-13)14(21)10-23-16-7-6-15(18-19-16)20-9-8-17-11-20/h2-9,11H,10H2,1H3
InChIKeyPXDHOTHXFAUYME-UHFFFAOYSA-N
XLogP2.65
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone
CID 121031343
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 121031351
1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56724875
1-(4-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699377
2-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 121031387
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
1-(4-methoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
CID 7118196
3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
CID 56724884
2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
CID 103705488
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51085911

Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone (CID 121031340) is 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
The InChIKey is PXDHOTHXFAUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-13-4-2-12(3-5-13)14(21)10-23-16-7-6-15(18-19-16)20-9-8-17-11-20/h2-9,11H,10H2,1H3.
What are the key properties of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone has a molecular weight of 326.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 121031340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).