2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide

C14H15N3O2S — CID 106548705

IUPAC2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
SMILESCc1cnn(CCOc2ccccc2C(N)=S)c(=O)c1
InChIInChI=1S/C14H15N3O2S/c1-10-8-13(18)17(16-9-10)6-7-19-12-5-3-2-4-11(12)14(15)20/h2-5,8-9H,6-7H2,1H3,(H2,15,20)
InChIKeyVDISVEVAMSOPRB-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.26
Rot. Bonds5

About 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide

2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide (PubChem CID 106548705) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
PubChem CID106548705
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
SMILESCc1cnn(CCOc2ccccc2C(N)=S)c(=O)c1
InChIInChI=1S/C14H15N3O2S/c1-10-8-13(18)17(16-9-10)6-7-19-12-5-3-2-4-11(12)14(15)20/h2-5,8-9H,6-7H2,1H3,(H2,15,20)
InChIKeyVDISVEVAMSOPRB-UHFFFAOYSA-N
XLogP1.26
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548755
2-[2-(6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
CID 55126969
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarbothioamide
CID 43290858
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
2-[3-(5-methyl-2-oxopyrimidin-1-yl)propoxy]benzenecarbothioamide
CID 63206439
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarbothioamide
CID 62129736
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethoxy]benzenecarbothioamide
CID 43290906
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893
2-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 80579353
2-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethoxy]benzenecarbothioamide
CID 55078506
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide?
The IUPAC name of 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide (CID 106548705) is 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide.
What is the SMILES notation for 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide?
The canonical SMILES for 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide is Cc1cnn(CCOc2ccccc2C(N)=S)c(=O)c1.
What is the InChIKey of 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide?
The InChIKey is VDISVEVAMSOPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-8-13(18)17(16-9-10)6-7-19-12-5-3-2-4-11(12)14(15)20/h2-5,8-9H,6-7H2,1H3,(H2,15,20).
What are the key properties of 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide?
2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide has a molecular weight of 289.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide is sourced from PubChem (CID 106548705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).