N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

C16H12Cl2N4OS — CID 113050922

IUPACN-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C16H12Cl2N4OS/c17-11-4-1-5-12(16(11)18)19-13-6-7-14(22-21-13)20-15(23)9-10-3-2-8-24-10/h1-8H,9H2,(H,19,21)(H,20,22,23)
InChIKeyYTQKSDUKJJAQRE-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.77
Rot. Bonds5

About N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 113050922) has the molecular formula C16H12Cl2N4OS and a molecular weight of 379.27 g/mol. Its IUPAC name is N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID113050922
Molecular FormulaC16H12Cl2N4OS
Molecular Weight379.27 g/mol
Exact Mass378.01
IUPAC NameN-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C16H12Cl2N4OS/c17-11-4-1-5-12(16(11)18)19-13-6-7-14(22-21-13)20-15(23)9-10-3-2-8-24-10/h1-8H,9H2,(H,19,21)(H,20,22,23)
InChIKeyYTQKSDUKJJAQRE-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113046581
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]pentanamide
CID 113050912
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (CID 113050922) is N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2cccc(Cl)c2Cl)nn1.
What is the InChIKey of N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YTQKSDUKJJAQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4OS/c17-11-4-1-5-12(16(11)18)19-13-6-7-14(22-21-13)20-15(23)9-10-3-2-8-24-10/h1-8H,9H2,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 379.27 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113050922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).