2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

C12H10FN3OS — CID 3227981

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H10FN3OS/c13-9-3-1-8(2-4-9)10-5-6-12(16-15-10)18-7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyPXXYHGGOKYPHLK-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.86
Rot. Bonds4

About 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 3227981) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID3227981
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H10FN3OS/c13-9-3-1-8(2-4-9)10-5-6-12(16-15-10)18-7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyPXXYHGGOKYPHLK-UHFFFAOYSA-N
XLogP1.86
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (CID 3227981) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is NC(=O)CSc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is PXXYHGGOKYPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-9-3-1-8(2-4-9)10-5-6-12(16-15-10)18-7-11(14)17/h1-6H,7H2,(H2,14,17).
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 263.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 3227981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).