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

C16H12FN3O2S — CID 7207159

IUPACN-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2S/c17-11-3-5-12(6-4-11)18-15(21)10-23-16-8-7-13(19-20-16)14-2-1-9-22-14/h1-9H,10H2,(H,18,21)
InChIKeySVMWBVWTVZVKIL-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.61
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207159) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207159
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2S/c17-11-3-5-12(6-4-11)18-15(21)10-23-16-8-7-13(19-20-16)14-2-1-9-22-14/h1-9H,10H2,(H,18,21)
InChIKeySVMWBVWTVZVKIL-UHFFFAOYSA-N
XLogP3.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207159) is N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is SVMWBVWTVZVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-11-3-5-12(6-4-11)18-15(21)10-23-16-8-7-13(19-20-16)14-2-1-9-22-14/h1-9H,10H2,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 329.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).