5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C20H15ClFN3O2S — CID 16906623

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3nc(C)sc23)c1
InChIInChI=1S/C20H15ClFN3O2S/c1-11-23-18-19(28-11)17(12-5-3-6-13(9-12)27-2)24-25(20(18)26)10-14-15(21)7-4-8-16(14)22/h3-9H,10H2,1-2H3
InChIKeyDOEAZKPZXVXUFF-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.68
Rot. Bonds4

About 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 16906623) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID16906623
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3nc(C)sc23)c1
InChIInChI=1S/C20H15ClFN3O2S/c1-11-23-18-19(28-11)17(12-5-3-6-13(9-12)27-2)24-25(20(18)26)10-14-15(21)7-4-8-16(14)22/h3-9H,10H2,1-2H3
InChIKeyDOEAZKPZXVXUFF-UHFFFAOYSA-N
XLogP4.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one 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 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 16906623) is 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3nc(C)sc23)c1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is DOEAZKPZXVXUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c1-11-23-18-19(28-11)17(12-5-3-6-13(9-12)27-2)24-25(20(18)26)10-14-15(21)7-4-8-16(14)22/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 415.88 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 16906623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).