N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

C16H14FN5OS — CID 56766213

IUPACN-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-n2cccn2)nn1)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN5OS/c17-13-4-2-12(3-5-13)10-18-15(23)11-24-16-7-6-14(20-21-16)22-9-1-8-19-22/h1-9H,10-11H2,(H,18,23)
InChIKeyBVTKBWCFMRZVIN-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.21
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 56766213) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID56766213
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-n2cccn2)nn1)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN5OS/c17-13-4-2-12(3-5-13)10-18-15(23)11-24-16-7-6-14(20-21-16)22-9-1-8-19-22/h1-9H,10-11H2,(H,18,23)
InChIKeyBVTKBWCFMRZVIN-UHFFFAOYSA-N
XLogP2.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (CID 56766213) is N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-n2cccn2)nn1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is BVTKBWCFMRZVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c17-13-4-2-12(3-5-13)10-18-15(23)11-24-16-7-6-14(20-21-16)22-9-1-8-19-22/h1-9H,10-11H2,(H,18,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 343.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 56766213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).