N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

C22H18N6O2S — CID 121052571

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C22H18N6O2S/c29-20(14-28-21(30)8-7-18(26-28)16-2-1-9-23-12-16)24-17-5-3-15(4-6-17)19-13-27-10-11-31-22(27)25-19/h1-9,12-13H,10-11,14H2,(H,24,29)
InChIKeyQMNXCVBQHXFVAN-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (PubChem CID 121052571) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
PubChem CID121052571
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C22H18N6O2S/c29-20(14-28-21(30)8-7-18(26-28)16-2-1-9-23-12-16)24-17-5-3-15(4-6-17)19-13-27-10-11-31-22(27)25-19/h1-9,12-13H,10-11,14H2,(H,24,29)
InChIKeyQMNXCVBQHXFVAN-UHFFFAOYSA-N
XLogP2.91
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-(3-chloro-4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052405
N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052428
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052518
N-(1,2-oxazol-3-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052475
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 121052528
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (CID 121052571) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The InChIKey is QMNXCVBQHXFVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c29-20(14-28-21(30)8-7-18(26-28)16-2-1-9-23-12-16)24-17-5-3-15(4-6-17)19-13-27-10-11-31-22(27)25-19/h1-9,12-13H,10-11,14H2,(H,24,29).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).