N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide

C11H11N3O2S — CID 42226629

IUPACN-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ncccc1=O)c1cccs1
InChIInChI=1S/C11H11N3O2S/c15-10-4-1-5-13-14(10)7-6-12-11(16)9-3-2-8-17-9/h1-5,8H,6-7H2,(H,12,16)
InChIKeyORJFAFAWBZMWLK-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.73
Rot. Bonds4

About N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 42226629) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID42226629
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ncccc1=O)c1cccs1
InChIInChI=1S/C11H11N3O2S/c15-10-4-1-5-13-14(10)7-6-12-11(16)9-3-2-8-17-9/h1-5,8H,6-7H2,(H,12,16)
InChIKeyORJFAFAWBZMWLK-UHFFFAOYSA-N
XLogP0.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide (CID 42226629) is N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1ncccc1=O)c1cccs1.
What is the InChIKey of N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ORJFAFAWBZMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-10-4-1-5-13-14(10)7-6-12-11(16)9-3-2-8-17-9/h1-5,8H,6-7H2,(H,12,16).
What are the key properties of N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42226629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).