2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

C16H16N2OS — CID 105083267

IUPAC2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2csc3ccccc23)c(C)nn1
InChIInChI=1S/C16H16N2OS/c1-10-7-14(11(2)18-17-10)15(19)8-12-9-20-16-6-4-3-5-13(12)16/h3-7,9,15,19H,8H2,1-2H3
InChIKeyGREZFKRVLKAVHM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.58
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (PubChem CID 105083267) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
PubChem CID105083267
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2csc3ccccc23)c(C)nn1
InChIInChI=1S/C16H16N2OS/c1-10-7-14(11(2)18-17-10)15(19)8-12-9-20-16-6-4-3-5-13(12)16/h3-7,9,15,19H,8H2,1-2H3
InChIKeyGREZFKRVLKAVHM-UHFFFAOYSA-N
XLogP3.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol
CID 155552902
7-Phenyl-1-(6-thiophen-2-ylpyridazin-3-yl)heptan-1-ol
CID 58366224
3-[2-[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]ethyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 91495818
4-[3-[(3Z,5E)-5-hydroxyhepta-1,3,5-trien-4-yl]-5-methylthieno[2,3-c]pyridazin-6-yl]borinane-1-carbonitrile
CID 170581697
2-([1]Benzothiolo[2,3-c]pyridazin-3-yl)phenol
CID 172498580
(3-Ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842438
(3,6-Dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842472
2-(1-Benzothiophen-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373528
(3,6-Dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079918
(3-Ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079947
2-(1-Benzothiophen-3-yl)-1-pyridazin-4-ylethanol
CID 105083241
2-(1-Benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105083291

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (CID 105083267) is 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is Cc1cc(C(O)Cc2csc3ccccc23)c(C)nn1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The InChIKey is GREZFKRVLKAVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-7-14(11(2)18-17-10)15(19)8-12-9-20-16-6-4-3-5-13(12)16/h3-7,9,15,19H,8H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol has a molecular weight of 284.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105083267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).