2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C18H20FN3OS — CID 6404234

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1C(=O)CSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H20FN3OS/c1-13-4-2-3-11-22(13)18(23)12-24-17-10-9-16(20-21-17)14-5-7-15(19)8-6-14/h5-10,13H,2-4,11-12H2,1H3/t13-/m0/s1
InChIKeyXUZOYIXODOVXGO-ZDUSSCGKSA-N
MW345.44 g/mol
LogP3.78
Rot. Bonds4

About 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 6404234) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID6404234
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1C(=O)CSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H20FN3OS/c1-13-4-2-3-11-22(13)18(23)12-24-17-10-9-16(20-21-17)14-5-7-15(19)8-6-14/h5-10,13H,2-4,11-12H2,1H3/t13-/m0/s1
InChIKeyXUZOYIXODOVXGO-ZDUSSCGKSA-N
XLogP3.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 7989507
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7296297
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
CID 3228068
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7468825
2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46640168
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 112786259
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300479
2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 51552849
2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3212460
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 112778383
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513208

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 6404234) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone is C[C@H]1CCCCN1C(=O)CSc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is XUZOYIXODOVXGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-13-4-2-3-11-22(13)18(23)12-24-17-10-9-16(20-21-17)14-5-7-15(19)8-6-14/h5-10,13H,2-4,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 6404234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).