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

C15H13N3O2S2 — CID 16675142

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccs1
InChIInChI=1S/C15H13N3O2S2/c19-14-6-5-11(12-3-1-9-21-12)17-18(14)8-7-16-15(20)13-4-2-10-22-13/h1-6,9-10H,7-8H2,(H,16,20)
InChIKeyJZQARCMGZVPJQT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.46
Rot. Bonds5

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

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 16675142) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID16675142
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccs1
InChIInChI=1S/C15H13N3O2S2/c19-14-6-5-11(12-3-1-9-21-12)17-18(14)8-7-16-15(20)13-4-2-10-22-13/h1-6,9-10H,7-8H2,(H,16,20)
InChIKeyJZQARCMGZVPJQT-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.46
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]thiophene-2-carboxamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide (CID 16675142) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccs1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JZQARCMGZVPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-14-6-5-11(12-3-1-9-21-12)17-18(14)8-7-16-15(20)13-4-2-10-22-13/h1-6,9-10H,7-8H2,(H,16,20).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.46, 5 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]thiophene-2-carboxamide is sourced from PubChem (CID 16675142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).