2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one

C13H16N6OS — CID 103223734

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2cn3ccsc3n2)c(=O)c1
InChIInChI=1S/C13H16N6OS/c1-14-2-3-15-10-6-12(20)19(16-7-10)9-11-8-18-4-5-21-13(18)17-11/h4-8,14-15H,2-3,9H2,1H3
InChIKeyUDYHYODQXWSIHX-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.63
Rot. Bonds6

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one (PubChem CID 103223734) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
PubChem CID103223734
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2cn3ccsc3n2)c(=O)c1
InChIInChI=1S/C13H16N6OS/c1-14-2-3-15-10-6-12(20)19(16-7-10)9-11-8-18-4-5-21-13(18)17-11/h4-8,14-15H,2-3,9H2,1H3
InChIKeyUDYHYODQXWSIHX-UHFFFAOYSA-N
XLogP0.63
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-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

5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one
CID 103220735
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 113289386
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220136
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 115334618
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223738
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one (CID 103223734) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one is CNCCNc1cnn(Cc2cn3ccsc3n2)c(=O)c1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The InChIKey is UDYHYODQXWSIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-14-2-3-15-10-6-12(20)19(16-7-10)9-11-8-18-4-5-21-13(18)17-11/h4-8,14-15H,2-3,9H2,1H3.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one has a molecular weight of 304.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one is sourced from PubChem (CID 103223734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).