N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C17H13FN4OS — CID 7222467

IUPACN-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4OS/c18-13-3-5-14(6-4-13)20-16(23)11-24-17-8-7-15(21-22-17)12-2-1-9-19-10-12/h1-10H,11H2,(H,20,23)
InChIKeyGWGUQAKBOOSQOS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.41
Rot. Bonds5

About N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222467) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222467
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC NameN-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4OS/c18-13-3-5-14(6-4-13)20-16(23)11-24-17-8-7-15(21-22-17)12-2-1-9-19-10-12/h1-10H,11H2,(H,20,23)
InChIKeyGWGUQAKBOOSQOS-UHFFFAOYSA-N
XLogP3.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222467) is N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is GWGUQAKBOOSQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-13-3-5-14(6-4-13)20-16(23)11-24-17-8-7-15(21-22-17)12-2-1-9-19-10-12/h1-10H,11H2,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 340.38 g/mol, XLogP of 3.41, 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-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).