ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate

C12H14N2O3S — CID 167767691

IUPACethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
SMILESCCOC(=O)CN1N=C(c2cccs2)CCC1=O
InChIInChI=1S/C12H14N2O3S/c1-2-17-12(16)8-14-11(15)6-5-9(13-14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJTMLHKLUUKOWNX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate

ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate (PubChem CID 167767691) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
PubChem CID167767691
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
SMILESCCOC(=O)CN1N=C(c2cccs2)CCC1=O
InChIInChI=1S/C12H14N2O3S/c1-2-17-12(16)8-14-11(15)6-5-9(13-14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJTMLHKLUUKOWNX-UHFFFAOYSA-N
XLogP1.64
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 118871578
ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate
CID 1471722
ethyl 2-[4-(2-methylpropyl)-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl]acetate
CID 58012057
2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one
CID 166436042
ethyl 2-[2-[(3S)-2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 40958188
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42984142
[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548521
1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 40881867
N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 83287701
1-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2959830
1-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 972271
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 42984029

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate (CID 167767691) is ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate is CCOC(=O)CN1N=C(c2cccs2)CCC1=O.
What is the InChIKey of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
The InChIKey is JTMLHKLUUKOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-17-12(16)8-14-11(15)6-5-9(13-14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate has a molecular weight of 266.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate is sourced from PubChem (CID 167767691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).