N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

C15H11F2N5OS — CID 56766232

IUPACN-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-n2cccn2)nn1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F2N5OS/c16-10-2-3-12(11(17)8-10)19-14(23)9-24-15-5-4-13(20-21-15)22-7-1-6-18-22/h1-8H,9H2,(H,19,23)
InChIKeyKAZSSHMFAYULKQ-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.67
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 56766232) has the molecular formula C15H11F2N5OS and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID56766232
Molecular FormulaC15H11F2N5OS
Molecular Weight347.35 g/mol
Exact Mass347.07
IUPAC NameN-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-n2cccn2)nn1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F2N5OS/c16-10-2-3-12(11(17)8-10)19-14(23)9-24-15-5-4-13(20-21-15)22-7-1-6-18-22/h1-8H,9H2,(H,19,23)
InChIKeyKAZSSHMFAYULKQ-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (CID 56766232) is N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-n2cccn2)nn1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is KAZSSHMFAYULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5OS/c16-10-2-3-12(11(17)8-10)19-14(23)9-24-15-5-4-13(20-21-15)22-7-1-6-18-22/h1-8H,9H2,(H,19,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 347.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 56766232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).