6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C21H26N4S — CID 73293105

IUPAC6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCC1(C)CC(Nc2ccc(-c3cc4ccccc4s3)nn2)CC(C)(C)N1
InChIInChI=1S/C21H26N4S/c1-20(2)12-15(13-21(3,4)25-20)22-19-10-9-16(23-24-19)18-11-14-7-5-6-8-17(14)26-18/h5-11,15,25H,12-13H2,1-4H3,(H,22,24)
InChIKeyIRERRFYLRIBFMB-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.08
Rot. Bonds3

About 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 73293105) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID73293105
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCC1(C)CC(Nc2ccc(-c3cc4ccccc4s3)nn2)CC(C)(C)N1
InChIInChI=1S/C21H26N4S/c1-20(2)12-15(13-21(3,4)25-20)22-19-10-9-16(23-24-19)18-11-14-7-5-6-8-17(14)26-18/h5-11,15,25H,12-13H2,1-4H3,(H,22,24)
InChIKeyIRERRFYLRIBFMB-UHFFFAOYSA-N
XLogP5.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 73293105) is 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CC1(C)CC(Nc2ccc(-c3cc4ccccc4s3)nn2)CC(C)(C)N1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is IRERRFYLRIBFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-20(2)12-15(13-21(3,4)25-20)22-19-10-9-16(23-24-19)18-11-14-7-5-6-8-17(14)26-18/h5-11,15,25H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 366.53 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 73293105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).