N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide

C16H15N3O2S2 — CID 16905691

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C16H15N3O2S2/c20-15(11-12-3-1-9-22-12)17-7-8-19-16(21)6-5-13(18-19)14-4-2-10-23-14/h1-6,9-10H,7-8,11H2,(H,17,20)
InChIKeyXERKFQHVHRXHJA-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 16905691) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID16905691
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C16H15N3O2S2/c20-15(11-12-3-1-9-22-12)17-7-8-19-16(21)6-5-13(18-19)14-4-2-10-23-14/h1-6,9-10H,7-8,11H2,(H,17,20)
InChIKeyXERKFQHVHRXHJA-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 16905691) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is XERKFQHVHRXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-15(11-12-3-1-9-22-12)17-7-8-19-16(21)6-5-13(18-19)14-4-2-10-23-14/h1-6,9-10H,7-8,11H2,(H,17,20).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 345.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16905691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).