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

C21H17FN4O2S — CID 16906295

IUPAC2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
SMILESCc1nc2c(=O)n(CC(=O)N(C)c3ccccc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C21H17FN4O2S/c1-13-23-19-20(29-13)18(14-8-10-15(22)11-9-14)24-26(21(19)28)12-17(27)25(2)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyGEFWTCFRODLHIH-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.63
Rot. Bonds4

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

2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide (PubChem CID 16906295) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
PubChem CID16906295
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
SMILESCc1nc2c(=O)n(CC(=O)N(C)c3ccccc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C21H17FN4O2S/c1-13-23-19-20(29-13)18(14-8-10-15(22)11-9-14)24-26(21(19)28)12-17(27)25(2)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyGEFWTCFRODLHIH-UHFFFAOYSA-N
XLogP3.63
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide (CID 16906295) is 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide is Cc1nc2c(=O)n(CC(=O)N(C)c3ccccc3)nc(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide?
The InChIKey is GEFWTCFRODLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-13-23-19-20(29-13)18(14-8-10-15(22)11-9-14)24-26(21(19)28)12-17(27)25(2)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3.
What are the key properties of 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide?
2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide has a molecular weight of 408.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 16906295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).