2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C11H9Cl2N3O2S — CID 4306078

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1cccs1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-5-15-16(11(18)10(8)13)6-9(17)14-4-7-2-1-3-19-7/h1-3,5H,4,6H2,(H,14,17)
InChIKeyAJGFECZOLAFLMA-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.93
Rot. Bonds4

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4306078) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4306078
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1cccs1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-5-15-16(11(18)10(8)13)6-9(17)14-4-7-2-1-3-19-7/h1-3,5H,4,6H2,(H,14,17)
InChIKeyAJGFECZOLAFLMA-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 4306078) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1cccs1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AJGFECZOLAFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-8-5-15-16(11(18)10(8)13)6-9(17)14-4-7-2-1-3-19-7/h1-3,5H,4,6H2,(H,14,17).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 318.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4306078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).