N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C17H13FN4O3S — CID 26469492

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1
InChIInChI=1S/C17H13FN4O3S/c1-9-7-14(24)15(21-22(9)13-6-4-3-5-11(13)18)16(25)20-17-19-12(8-26-17)10(2)23/h3-8H,1-2H3,(H,19,20,25)
InChIKeyCEGGELCZAWBMCX-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.59
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 26469492) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID26469492
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1
InChIInChI=1S/C17H13FN4O3S/c1-9-7-14(24)15(21-22(9)13-6-4-3-5-11(13)18)16(25)20-17-19-12(8-26-17)10(2)23/h3-8H,1-2H3,(H,19,20,25)
InChIKeyCEGGELCZAWBMCX-UHFFFAOYSA-N
XLogP2.59
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 26693950
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 17461236
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026336
1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 31156957
1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-thiophen-2-ylphenyl)pyridazine-3-carboxamide
CID 18284299
N-[4-(dimethylamino)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 92517374
methyl 5-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24509329
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60551870
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 26469492) is N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CC(=O)c1csc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is CEGGELCZAWBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-9-7-14(24)15(21-22(9)13-6-4-3-5-11(13)18)16(25)20-17-19-12(8-26-17)10(2)23/h3-8H,1-2H3,(H,19,20,25).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26469492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).