N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

C16H13ClN4OS — CID 113047543

IUPACN-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H13ClN4OS/c17-11-3-5-12(6-4-11)18-14-7-8-15(21-20-14)19-16(22)10-13-2-1-9-23-13/h1-9H,10H2,(H,18,20)(H,19,21,22)
InChIKeyXWHTWPNRZRZKCE-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.12
Rot. Bonds5

About N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 113047543) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID113047543
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H13ClN4OS/c17-11-3-5-12(6-4-11)18-14-7-8-15(21-20-14)19-16(22)10-13-2-1-9-23-13/h1-9H,10H2,(H,18,20)(H,19,21,22)
InChIKeyXWHTWPNRZRZKCE-UHFFFAOYSA-N
XLogP4.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113046581
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (CID 113047543) is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is XWHTWPNRZRZKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-11-3-5-12(6-4-11)18-14-7-8-15(21-20-14)19-16(22)10-13-2-1-9-23-13/h1-9H,10H2,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 344.83 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113047543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).