2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C12H12N2O3S — CID 62019524

IUPAC2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCCc1ccc(C(=O)Cn2[nH]c(=O)ccc2=O)s1
InChIInChI=1S/C12H12N2O3S/c1-2-8-3-4-10(18-8)9(15)7-14-12(17)6-5-11(16)13-14/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyVFHBHAOAOLYVCU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62019524) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62019524
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCCc1ccc(C(=O)Cn2[nH]c(=O)ccc2=O)s1
InChIInChI=1S/C12H12N2O3S/c1-2-8-3-4-10(18-8)9(15)7-14-12(17)6-5-11(16)13-14/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyVFHBHAOAOLYVCU-UHFFFAOYSA-N
XLogP1.04
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62019524) is 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CCc1ccc(C(=O)Cn2[nH]c(=O)ccc2=O)s1.
What is the InChIKey of 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is VFHBHAOAOLYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-8-3-4-10(18-8)9(15)7-14-12(17)6-5-11(16)13-14/h3-6H,2,7H2,1H3,(H,13,16).
What are the key properties of 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 264.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62019524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).