N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C23H20N4O3S — CID 26953328

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc2)cs1
InChIInChI=1S/C23H20N4O3S/c1-16-24-21(15-31-16)17-7-9-18(10-8-17)25-23(29)20-11-12-22(28)27(26-20)13-14-30-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,25,29)
InChIKeyWNHOQTNGKLOGOD-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.01
Rot. Bonds7

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 26953328) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID26953328
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc2)cs1
InChIInChI=1S/C23H20N4O3S/c1-16-24-21(15-31-16)17-7-9-18(10-8-17)25-23(29)20-11-12-22(28)27(26-20)13-14-30-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,25,29)
InChIKeyWNHOQTNGKLOGOD-UHFFFAOYSA-N
XLogP4.01
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46628797
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24525130
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-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 26953328) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is WNHOQTNGKLOGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-16-24-21(15-31-16)17-7-9-18(10-8-17)25-23(29)20-11-12-22(28)27(26-20)13-14-30-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,25,29).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 26953328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).