4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one

C14H8Cl2FN3OS — CID 16560641

IUPAC4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H8Cl2FN3OS/c15-11-5-18-20(14(21)12(11)16)6-10-7-22-13(19-10)8-1-3-9(17)4-2-8/h1-5,7H,6H2
InChIKeyILAPDJXXVOTKNF-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.86
Rot. Bonds3

About 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one

4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 16560641) has the molecular formula C14H8Cl2FN3OS and a molecular weight of 356.21 g/mol. Its IUPAC name is 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one
PubChem CID16560641
Molecular FormulaC14H8Cl2FN3OS
Molecular Weight356.21 g/mol
Exact Mass354.97
IUPAC Name4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H8Cl2FN3OS/c15-11-5-18-20(14(21)12(11)16)6-10-7-22-13(19-10)8-1-3-9(17)4-2-8/h1-5,7H,6H2
InChIKeyILAPDJXXVOTKNF-UHFFFAOYSA-N
XLogP3.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one (CID 16560641) is 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is ILAPDJXXVOTKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3OS/c15-11-5-18-20(14(21)12(11)16)6-10-7-22-13(19-10)8-1-3-9(17)4-2-8/h1-5,7H,6H2.
What are the key properties of 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 356.21 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 16560641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).