2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide

C14H14FN3OS — CID 3228068

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H14FN3OS/c1-18(2)14(19)9-20-13-8-7-12(16-17-13)10-3-5-11(15)6-4-10/h3-8H,9H2,1-2H3
InChIKeyUAFLWHZWLWPVJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds4

About 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide (PubChem CID 3228068) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
PubChem CID3228068
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H14FN3OS/c1-18(2)14(19)9-20-13-8-7-12(16-17-13)10-3-5-11(15)6-4-10/h3-8H,9H2,1-2H3
InChIKeyUAFLWHZWLWPVJI-UHFFFAOYSA-N
XLogP2.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
CID 7502818
1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542992
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 6404234
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699383
ethyl 2-[[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 8543081
N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8543095
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672457
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide (CID 3228068) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is UAFLWHZWLWPVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-18(2)14(19)9-20-13-8-7-12(16-17-13)10-3-5-11(15)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 291.35 g/mol, XLogP of 2.46, 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-N,N-dimethylacetamide is sourced from PubChem (CID 3228068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).