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

C22H15F3N4O2S — CID 34067638

IUPAC6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(-c3nccs3)cc2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H15F3N4O2S/c1-13-12-18(30)19(28-29(13)17-5-3-2-4-16(17)22(23,24)25)20(31)27-15-8-6-14(7-9-15)21-26-10-11-32-21/h2-12H,1H3,(H,27,31)
InChIKeyIFLGDQRGISDWQO-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.94
Rot. Bonds4

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

6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 34067638) has the molecular formula C22H15F3N4O2S and a molecular weight of 456.45 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID34067638
Molecular FormulaC22H15F3N4O2S
Molecular Weight456.45 g/mol
Exact Mass456.09
IUPAC Name6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(-c3nccs3)cc2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H15F3N4O2S/c1-13-12-18(30)19(28-29(13)17-5-3-2-4-16(17)22(23,24)25)20(31)27-15-8-6-14(7-9-15)21-26-10-11-32-21/h2-12H,1H3,(H,27,31)
InChIKeyIFLGDQRGISDWQO-UHFFFAOYSA-N
XLogP4.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 55427141
6-methyl-4-oxo-N-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51239028
6-methyl-N-(3-methylphenyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8871596
N-[4-[(2-methoxyacetyl)amino]phenyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 35335393
6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46803536
N-(6-methoxy-3-pyridinyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 40708409
N-(4-amino-3,5-dichlorophenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46665346
6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46412484
6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 25333423
6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide
CID 24655009
6-methyl-4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46554274
N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60606233

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 34067638) is 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(-c3nccs3)cc2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is IFLGDQRGISDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2S/c1-13-12-18(30)19(28-29(13)17-5-3-2-4-16(17)22(23,24)25)20(31)27-15-8-6-14(7-9-15)21-26-10-11-32-21/h2-12H,1H3,(H,27,31).
What are the key properties of 6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 4.94, 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-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 34067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).