2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide

C16H13FN4O2S — CID 16676473

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2F)c1=O
InChIInChI=1S/C16H13FN4O2S/c17-10-4-1-2-5-12(10)19-15(22)9-21-16(23)11(18)8-13(20-21)14-6-3-7-24-14/h1-8H,9,18H2,(H,19,22)
InChIKeyXWCYFQLBXKCROH-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.33
Rot. Bonds4

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 16676473) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID16676473
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2F)c1=O
InChIInChI=1S/C16H13FN4O2S/c17-10-4-1-2-5-12(10)19-15(22)9-21-16(23)11(18)8-13(20-21)14-6-3-7-24-14/h1-8H,9,18H2,(H,19,22)
InChIKeyXWCYFQLBXKCROH-UHFFFAOYSA-N
XLogP2.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide (CID 16676473) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide is Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2F)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is XWCYFQLBXKCROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c17-10-4-1-2-5-12(10)19-15(22)9-21-16(23)11(18)8-13(20-21)14-6-3-7-24-14/h1-8H,9,18H2,(H,19,22).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 16676473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).