2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone

C17H16N2OS — CID 105085054

IUPAC2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
SMILESCCc1nnc(C)cc1C(=O)Cc1csc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-3-15-14(8-11(2)18-19-15)16(20)9-12-10-21-17-7-5-4-6-13(12)17/h4-8,10H,3,9H2,1-2H3
InChIKeyWKBOKSDUBUVAPE-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.99
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone

2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone (PubChem CID 105085054) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
PubChem CID105085054
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
SMILESCCc1nnc(C)cc1C(=O)Cc1csc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-3-15-14(8-11(2)18-19-15)16(20)9-12-10-21-17-7-5-4-6-13(12)17/h4-8,10H,3,9H2,1-2H3
InChIKeyWKBOKSDUBUVAPE-UHFFFAOYSA-N
XLogP3.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
CID 105080164
2-(3-chlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105078240
2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105079147
ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
CID 142901816
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone (CID 105085054) is 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone is CCc1nnc(C)cc1C(=O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The InChIKey is WKBOKSDUBUVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-3-15-14(8-11(2)18-19-15)16(20)9-12-10-21-17-7-5-4-6-13(12)17/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone has a molecular weight of 296.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone is sourced from PubChem (CID 105085054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).