2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone

C17H13N5OS — CID 160547995

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(-c3ccnnc3)cn3ccnc23)n1
InChIInChI=1S/C17H13N5OS/c1-11-10-24-16(21-11)7-15(23)14-6-13(12-2-3-19-20-8-12)9-22-5-4-18-17(14)22/h2-6,8-10H,7H2,1H3
InChIKeyPQERBYSKBVAOAZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone

2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone (PubChem CID 160547995) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone
PubChem CID160547995
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(-c3ccnnc3)cn3ccnc23)n1
InChIInChI=1S/C17H13N5OS/c1-11-10-24-16(21-11)7-15(23)14-6-13(12-2-3-19-20-8-12)9-22-5-4-18-17(14)22/h2-6,8-10H,7H2,1H3
InChIKeyPQERBYSKBVAOAZ-UHFFFAOYSA-N
XLogP2.98
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone (CID 160547995) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone is Cc1csc(CC(=O)c2cc(-c3ccnnc3)cn3ccnc23)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone?
The InChIKey is PQERBYSKBVAOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-11-10-24-16(21-11)7-15(23)14-6-13(12-2-3-19-20-8-12)9-22-5-4-18-17(14)22/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone has a molecular weight of 335.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone is sourced from PubChem (CID 160547995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).