N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C24H19N5O3S — CID 46628797

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C24H19N5O3S/c30-22-11-10-20(27-29(22)12-14-32-19-4-2-1-3-5-19)23(31)25-18-8-6-17(7-9-18)21-16-28-13-15-33-24(28)26-21/h1-11,13,15-16H,12,14H2,(H,25,31)
InChIKeyAAZJQJKQPKVKAU-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.95
Rot. Bonds7

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 46628797) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID46628797
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C24H19N5O3S/c30-22-11-10-20(27-29(22)12-14-32-19-4-2-1-3-5-19)23(31)25-18-8-6-17(7-9-18)21-16-28-13-15-33-24(28)26-21/h1-11,13,15-16H,12,14H2,(H,25,31)
InChIKeyAAZJQJKQPKVKAU-UHFFFAOYSA-N
XLogP3.95
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[4-(1H-benzimidazol-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46628844
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
N-(4-phenoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862652
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051824
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55855876
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 46628797) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is AAZJQJKQPKVKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c30-22-11-10-20(27-29(22)12-14-32-19-4-2-1-3-5-19)23(31)25-18-8-6-17(7-9-18)21-16-28-13-15-33-24(28)26-21/h1-11,13,15-16H,12,14H2,(H,25,31).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 46628797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).