2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide

C14H17N3O2S — CID 56782751

IUPAC2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2sccc2C)nnc1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-5-20-12(9)7-15-13(18)8-19-14-6-10(2)11(3)16-17-14/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKeyHTMBEAAUQSNKTP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.16
Rot. Bonds5

About 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 56782751) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID56782751
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2sccc2C)nnc1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-5-20-12(9)7-15-13(18)8-19-14-6-10(2)11(3)16-17-14/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKeyHTMBEAAUQSNKTP-UHFFFAOYSA-N
XLogP2.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 56782708
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(ethylcarbamoyl)acetamide
CID 56782763
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(4-methylphenyl)acetamide
CID 56782710
2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 71968834
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95352905
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
CID 134056517
3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 32991237
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 56782751) is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1cc(OCC(=O)NCc2sccc2C)nnc1C.
What is the InChIKey of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is HTMBEAAUQSNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-4-5-20-12(9)7-15-13(18)8-19-14-6-10(2)11(3)16-17-14/h4-6H,7-8H2,1-3H3,(H,15,18).
What are the key properties of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 56782751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).