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

C16H14N4OS — CID 121031343

IUPAC2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H14N4OS/c1-12-2-4-13(5-3-12)14(21)10-22-16-7-6-15(18-19-16)20-9-8-17-11-20/h2-9,11H,10H2,1H3
InChIKeyTYIAHQUHJQCDNG-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.95
Rot. Bonds5

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

2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone (PubChem CID 121031343) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone
PubChem CID121031343
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H14N4OS/c1-12-2-4-13(5-3-12)14(21)10-22-16-7-6-15(18-19-16)20-9-8-17-11-20/h2-9,11H,10H2,1H3
InChIKeyTYIAHQUHJQCDNG-UHFFFAOYSA-N
XLogP2.95
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 121031340
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 121031351
2-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 121031387
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56724875
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
CID 56724884
1-[4-(4-bromophenyl)phenyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 16603024
1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 30288651
N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
CID 24600113
(2R)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxobutanoate
CID 7007389
1-(4-chlorophenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
CID 43935721
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061

Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone (CID 121031343) is 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CSc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone?
The InChIKey is TYIAHQUHJQCDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-12-2-4-13(5-3-12)14(21)10-22-16-7-6-15(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-methylphenyl)ethanone?
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone has a molecular weight of 310.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 121031343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).