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

C13H11N3O2S — CID 42281613

IUPAC7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3nc(C)sc23)cc1
InChIInChI=1S/C13H11N3O2S/c1-7-14-11-12(19-7)10(15-16-13(11)17)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3,(H,16,17)
InChIKeyFEFQMQTWRHXCPW-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.36
Rot. Bonds2

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

7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42281613) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID42281613
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3nc(C)sc23)cc1
InChIInChI=1S/C13H11N3O2S/c1-7-14-11-12(19-7)10(15-16-13(11)17)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3,(H,16,17)
InChIKeyFEFQMQTWRHXCPW-UHFFFAOYSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42281613) is 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1ccc(-c2n[nH]c(=O)c3nc(C)sc23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is FEFQMQTWRHXCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-14-11-12(19-7)10(15-16-13(11)17)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3,(H,16,17).
What are the key properties of 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 273.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42281613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).