1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

C21H14F2N4O2S — CID 55630366

IUPAC1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H14F2N4O2S/c1-12-19(13-2-4-14(22)5-3-13)24-21(30-12)25-20(29)17-10-11-18(28)27(26-17)16-8-6-15(23)7-9-16/h2-11H,1H3,(H,24,25,29)
InChIKeyKEGJOWUYONFHTJ-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 55630366) has the molecular formula C21H14F2N4O2S and a molecular weight of 424.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID55630366
Molecular FormulaC21H14F2N4O2S
Molecular Weight424.43 g/mol
Exact Mass424.08
IUPAC Name1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H14F2N4O2S/c1-12-19(13-2-4-14(22)5-3-13)24-21(30-12)25-20(29)17-10-11-18(28)27(26-17)16-8-6-15(23)7-9-16/h2-11H,1H3,(H,24,25,29)
InChIKeyKEGJOWUYONFHTJ-UHFFFAOYSA-N
XLogP4.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 154862079
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
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1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
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N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
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2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
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4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
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N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
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2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47082872
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 55630366) is 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is Cc1sc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is KEGJOWUYONFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2S/c1-12-19(13-2-4-14(22)5-3-13)24-21(30-12)25-20(29)17-10-11-18(28)27(26-17)16-8-6-15(23)7-9-16/h2-11H,1H3,(H,24,25,29).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55630366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).