[6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone

C19H20N4OS — CID 167962443

IUPAC[6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(-c3csc4ccccc34)nn2)CCN1
InChIInChI=1S/C19H20N4OS/c1-19(2)12-23(10-9-20-19)18(24)16-8-7-15(21-22-16)14-11-25-17-6-4-3-5-13(14)17/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeySLAVCUUEXSNGIY-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.18
Rot. Bonds2

About [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone

[6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 167962443) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID167962443
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name[6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(-c3csc4ccccc34)nn2)CCN1
InChIInChI=1S/C19H20N4OS/c1-19(2)12-23(10-9-20-19)18(24)16-8-7-15(21-22-16)14-11-25-17-6-4-3-5-13(14)17/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeySLAVCUUEXSNGIY-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone (CID 167962443) is [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)c2ccc(-c3csc4ccccc34)nn2)CCN1.
What is the InChIKey of [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is SLAVCUUEXSNGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-19(2)12-23(10-9-20-19)18(24)16-8-7-15(21-22-16)14-11-25-17-6-4-3-5-13(14)17/h3-8,11,20H,9-10,12H2,1-2H3.
What are the key properties of [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone?
[6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-benzothiophen-3-yl)pyridazin-3-yl]-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 167962443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).