5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one

C15H14BrN3OS — CID 133303580

IUPAC5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
SMILESCn1ncc(NCCc2csc3ccccc23)c(Br)c1=O
InChIInChI=1S/C15H14BrN3OS/c1-19-15(20)14(16)12(8-18-19)17-7-6-10-9-21-13-5-3-2-4-11(10)13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyOOCCDOPNJOSVJZ-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.41
Rot. Bonds4

About 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one

5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one (PubChem CID 133303580) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
PubChem CID133303580
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
SMILESCn1ncc(NCCc2csc3ccccc23)c(Br)c1=O
InChIInChI=1S/C15H14BrN3OS/c1-19-15(20)14(16)12(8-18-19)17-7-6-10-9-21-13-5-3-2-4-11(10)13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyOOCCDOPNJOSVJZ-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-methyl-5-[4-(N-methylanilino)butylamino]pyridazin-3-one
CID 133303735
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-[3-(2,5-dimethoxyphenyl)propylamino]-2-methylpyridazin-3-one
CID 133403053
4-bromo-5-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 115624032
4-bromo-5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-methylpyridazin-3-one
CID 133347529
4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one
CID 133303007
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-bromo-5-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113340114
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218855
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one?
The IUPAC name of 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one (CID 133303580) is 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one?
The canonical SMILES for 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one is Cn1ncc(NCCc2csc3ccccc23)c(Br)c1=O.
What is the InChIKey of 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one?
The InChIKey is OOCCDOPNJOSVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-19-15(20)14(16)12(8-18-19)17-7-6-10-9-21-13-5-3-2-4-11(10)13/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one?
5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one has a molecular weight of 364.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one is sourced from PubChem (CID 133303580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).