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

C21H12ClFN6OS2 — CID 168893482

IUPAC6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2nnc(-c3cccc(Cl)c3)s2)nn1Cc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H12ClFN6OS2/c22-14-3-1-2-13(10-14)20-26-27-21(32-20)16-8-9-18(30)29(28-16)11-17-24-25-19(31-17)12-4-6-15(23)7-5-12/h1-10H,11H2
InChIKeyYNDRPLBZQDFMRA-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.79
Rot. Bonds5

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

6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one (PubChem CID 168893482) has the molecular formula C21H12ClFN6OS2 and a molecular weight of 482.95 g/mol. Its IUPAC name is 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one
PubChem CID168893482
Molecular FormulaC21H12ClFN6OS2
Molecular Weight482.95 g/mol
Exact Mass482.02
IUPAC Name6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2nnc(-c3cccc(Cl)c3)s2)nn1Cc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H12ClFN6OS2/c22-14-3-1-2-13(10-14)20-26-27-21(32-20)16-8-9-18(30)29(28-16)11-17-24-25-19(31-17)12-4-6-15(23)7-5-12/h1-10H,11H2
InChIKeyYNDRPLBZQDFMRA-UHFFFAOYSA-N
XLogP4.79
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[5-(3-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one
CID 168893319
6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one
CID 50843609
2-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-one
CID 59849703
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one
CID 141268505
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
CID 59849727
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
CID 24829949
3-(dimethylamino)propyl 2-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
CID 159553230
2-[[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158844804
2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
CID 8698921
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one (CID 168893482) is 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one is O=c1ccc(-c2nnc(-c3cccc(Cl)c3)s2)nn1Cc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one?
The InChIKey is YNDRPLBZQDFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN6OS2/c22-14-3-1-2-13(10-14)20-26-27-21(32-20)16-8-9-18(30)29(28-16)11-17-24-25-19(31-17)12-4-6-15(23)7-5-12/h1-10H,11H2.
What are the key properties of 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one?
6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one has a molecular weight of 482.95 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 168893482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).