2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C21H15N5OS2 — CID 16872955

IUPAC2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C21H15N5OS2/c27-20(13-16-3-1-11-28-16)22-15-7-5-14(6-8-15)17-9-10-19-23-24-21(26(19)25-17)18-4-2-12-29-18/h1-12H,13H2,(H,22,27)
InChIKeyMOJMYDUIMFYDIM-UHFFFAOYSA-N
MW417.52 g/mol
LogP4.76
Rot. Bonds5

About 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 16872955) has the molecular formula C21H15N5OS2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID16872955
Molecular FormulaC21H15N5OS2
Molecular Weight417.52 g/mol
Exact Mass417.07
IUPAC Name2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C21H15N5OS2/c27-20(13-16-3-1-11-28-16)22-15-7-5-14(6-8-15)17-9-10-19-23-24-21(26(19)25-17)18-4-2-12-29-18/h1-12H,13H2,(H,22,27)
InChIKeyMOJMYDUIMFYDIM-UHFFFAOYSA-N
XLogP4.76
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 16872955) is 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(Cc1cccs1)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1.
What is the InChIKey of 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is MOJMYDUIMFYDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS2/c27-20(13-16-3-1-11-28-16)22-15-7-5-14(6-8-15)17-9-10-19-23-24-21(26(19)25-17)18-4-2-12-29-18/h1-12H,13H2,(H,22,27).
What are the key properties of 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 417.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 16872955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).