7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one

C22H21N3O3S — CID 40884943

IUPAC7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2nn([C@H](C)c3ccccc3)c(=O)c3nc(C)sc23)cc1OC
InChIInChI=1S/C22H21N3O3S/c1-13(15-8-6-5-7-9-15)25-22(26)20-21(29-14(2)23-20)19(24-25)16-10-11-17(27-3)18(12-16)28-4/h5-13H,1-4H3/t13-/m1/s1
InChIKeyQXBMKSJTFKGHCJ-CYBMUJFWSA-N
MW407.50 g/mol
LogP4.45
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one

7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 40884943) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID40884943
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2nn([C@H](C)c3ccccc3)c(=O)c3nc(C)sc23)cc1OC
InChIInChI=1S/C22H21N3O3S/c1-13(15-8-6-5-7-9-15)25-22(26)20-21(29-14(2)23-20)19(24-25)16-10-11-17(27-3)18(12-16)28-4/h5-13H,1-4H3/t13-/m1/s1
InChIKeyQXBMKSJTFKGHCJ-CYBMUJFWSA-N
XLogP4.45
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[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

Related Compounds

7-(3-methoxyphenyl)-2-methyl-5-[(1S)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884972
2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884977
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide
CID 16906397
N-benzyl-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906367
5-[(2,4-dichlorophenyl)methyl]-7-(3,4-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906426
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 16906345
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(3-fluorophenyl)acetamide
CID 16906339
N-(3-chloro-4-methylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906416
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16906340
5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-7-(3,4-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71692732
N-(4-acetylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906361
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 40884943) is 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1ccc(-c2nn([C@H](C)c3ccccc3)c(=O)c3nc(C)sc23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is QXBMKSJTFKGHCJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-13(15-8-6-5-7-9-15)25-22(26)20-21(29-14(2)23-20)19(24-25)16-10-11-17(27-3)18(12-16)28-4/h5-13H,1-4H3/t13-/m1/s1.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 407.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 40884943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).