N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide

C18H14N4OS — CID 126673008

IUPACN-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1
InChIInChI=1S/C18H14N4OS/c1-12(23)20-14-5-2-4-13(10-14)16-11-19-18-8-7-15(21-22(16)18)17-6-3-9-24-17/h2-11H,1H3,(H,20,23)
InChIKeyCGVUGLIMTKOJBD-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.08
Rot. Bonds3

About N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide

N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide (PubChem CID 126673008) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
PubChem CID126673008
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1
InChIInChI=1S/C18H14N4OS/c1-12(23)20-14-5-2-4-13(10-14)16-11-19-18-8-7-15(21-22(16)18)17-6-3-9-24-17/h2-11H,1H3,(H,20,23)
InChIKeyCGVUGLIMTKOJBD-UHFFFAOYSA-N
XLogP4.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Indiplon
CID 6450813
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)acetamide
CID 25093444
N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)acetamide
CID 25093449
3-[1-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1H-1,2,3-triazol-4-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 25138102
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide (CID 126673008) is N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1.
What is the InChIKey of N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The InChIKey is CGVUGLIMTKOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12(23)20-14-5-2-4-13(10-14)16-11-19-18-8-7-15(21-22(16)18)17-6-3-9-24-17/h2-11H,1H3,(H,20,23).
What are the key properties of N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 126673008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).