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

C21H16N4O2S — CID 55427141

IUPAC6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(-c3nccs3)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N4O2S/c1-14-13-18(26)19(24-25(14)17-5-3-2-4-6-17)20(27)23-16-9-7-15(8-10-16)21-22-11-12-28-21/h2-13H,1H3,(H,23,27)
InChIKeyXFLGROMPIYUTBR-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.92
Rot. Bonds4

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

6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 55427141) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
PubChem CID55427141
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(-c3nccs3)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N4O2S/c1-14-13-18(26)19(24-25(14)17-5-3-2-4-6-17)20(27)23-16-9-7-15(8-10-16)21-22-11-12-28-21/h2-13H,1H3,(H,23,27)
InChIKeyXFLGROMPIYUTBR-UHFFFAOYSA-N
XLogP3.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 34067638
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35568218
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
CID 34161619
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
6-methyl-4-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8900552
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55515849
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide (CID 55427141) is 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(-c3nccs3)cc2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is XFLGROMPIYUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-14-13-18(26)19(24-25(14)17-5-3-2-4-6-17)20(27)23-16-9-7-15(8-10-16)21-22-11-12-28-21/h2-13H,1H3,(H,23,27).
What are the key properties of 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55427141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).