N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

C20H14F2N4O2S — CID 16802326

IUPACN-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1nc2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C20H14F2N4O2S/c1-11-23-18-19(29-11)17(12-2-4-13(21)5-3-12)25-26(20(18)28)10-16(27)24-15-8-6-14(22)7-9-15/h2-9H,10H2,1H3,(H,24,27)
InChIKeyOSEOFEBGVPRHFD-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.75
Rot. Bonds4

About N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 16802326) has the molecular formula C20H14F2N4O2S and a molecular weight of 412.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID16802326
Molecular FormulaC20H14F2N4O2S
Molecular Weight412.42 g/mol
Exact Mass412.08
IUPAC NameN-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1nc2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C20H14F2N4O2S/c1-11-23-18-19(29-11)17(12-2-4-13(21)5-3-12)25-26(20(18)28)10-16(27)24-15-8-6-14(22)7-9-15/h2-9H,10H2,1H3,(H,24,27)
InChIKeyOSEOFEBGVPRHFD-UHFFFAOYSA-N
XLogP3.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 16802326) is N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is Cc1nc2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)c2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is OSEOFEBGVPRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2S/c1-11-23-18-19(29-11)17(12-2-4-13(21)5-3-12)25-26(20(18)28)10-16(27)24-15-8-6-14(22)7-9-15/h2-9H,10H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 412.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 16802326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).