6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one

C18H11ClFN5OS — CID 168893319

IUPAC6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2nsc(-c3cccc(Cl)c3)n2)nn1Cc1cncc(F)c1
InChIInChI=1S/C18H11ClFN5OS/c19-13-3-1-2-12(7-13)18-22-17(24-27-18)15-4-5-16(26)25(23-15)10-11-6-14(20)9-21-8-11/h1-9H,10H2
InChIKeyVOUSXEGJEUKRSD-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.66
Rot. Bonds4

About 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one

6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one (PubChem CID 168893319) has the molecular formula C18H11ClFN5OS and a molecular weight of 399.84 g/mol. Its IUPAC name is 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one
PubChem CID168893319
Molecular FormulaC18H11ClFN5OS
Molecular Weight399.84 g/mol
Exact Mass399.04
IUPAC Name6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2nsc(-c3cccc(Cl)c3)n2)nn1Cc1cncc(F)c1
InChIInChI=1S/C18H11ClFN5OS/c19-13-3-1-2-12(7-13)18-22-17(24-27-18)15-4-5-16(26)25(23-15)10-11-6-14(20)9-21-8-11/h1-9H,10H2
InChIKeyVOUSXEGJEUKRSD-UHFFFAOYSA-N
XLogP3.66
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one (CID 168893319) is 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one is O=c1ccc(-c2nsc(-c3cccc(Cl)c3)n2)nn1Cc1cncc(F)c1.
What is the InChIKey of 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is VOUSXEGJEUKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5OS/c19-13-3-1-2-12(7-13)18-22-17(24-27-18)15-4-5-16(26)25(23-15)10-11-6-14(20)9-21-8-11/h1-9H,10H2.
What are the key properties of 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one?
6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 399.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 168893319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).