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

C21H19N3O2S — CID 16906585

IUPAC7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1cccc(-c2nn(Cc3cccc(C)c3)c(=O)c3nc(C)sc23)c1
InChIInChI=1S/C21H19N3O2S/c1-13-6-4-7-15(10-13)12-24-21(25)19-20(27-14(2)22-19)18(23-24)16-8-5-9-17(11-16)26-3/h4-11H,12H2,1-3H3
InChIKeyCAVHTLUVBGIFCB-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.19
Rot. Bonds4

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

7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 16906585) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID16906585
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1cccc(-c2nn(Cc3cccc(C)c3)c(=O)c3nc(C)sc23)c1
InChIInChI=1S/C21H19N3O2S/c1-13-6-4-7-15(10-13)12-24-21(25)19-20(27-14(2)22-19)18(23-24)16-8-5-9-17(11-16)26-3/h4-11H,12H2,1-3H3
InChIKeyCAVHTLUVBGIFCB-UHFFFAOYSA-N
XLogP4.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

7-(3-methoxyphenyl)-2-methyl-5-(naphthalen-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906592
7-(3-methoxyphenyl)-2-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906613
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16906574
5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16905984
5-[2-(4-fluorophenyl)-2-oxoethyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906612
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N,N-di(propan-2-yl)acetamide
CID 16906603
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-phenylacetamide
CID 16906534
5-[2-(3-methoxyphenyl)-2-oxoethyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16905920
N-[(4-fluorophenyl)methyl]-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906571
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16802343
7-(3-methoxyphenyl)-2-methyl-5-[(1S)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884972
7-(4-chlorophenyl)-2-methyl-5-[(3-nitrophenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906091

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 16906585) is 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1cccc(-c2nn(Cc3cccc(C)c3)c(=O)c3nc(C)sc23)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is CAVHTLUVBGIFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-6-4-7-15(10-13)12-24-21(25)19-20(27-14(2)22-19)18(23-24)16-8-5-9-17(11-16)26-3/h4-11H,12H2,1-3H3.
What are the key properties of 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 377.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 16906585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).