N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C18H20N4O3S — CID 71840046

IUPACN-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc(C)c2sc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C18H20N4O3S/c1-12-16-15(20-17(26-16)13-7-4-3-5-8-13)18(24)22(21-12)11-14(23)19-9-6-10-25-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,23)
InChIKeyUQQCHCLKFQVZAC-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.98
Rot. Bonds7

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

N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840046) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840046
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc(C)c2sc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C18H20N4O3S/c1-12-16-15(20-17(26-16)13-7-4-3-5-8-13)18(24)22(21-12)11-14(23)19-9-6-10-25-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,23)
InChIKeyUQQCHCLKFQVZAC-UHFFFAOYSA-N
XLogP1.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840042
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
N-(2-methoxyethyl)-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906004
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-phenylethyl)acetamide
CID 16905880
7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840023
N-(3-methoxypropyl)-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 22514299
N-(2-methoxyethyl)-2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906198
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16906171
N-benzyl-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905876
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16906574
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16905882
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(3-methoxypropyl)acetamide
CID 50754044

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840046) is N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is COCCCNC(=O)Cn1nc(C)c2sc(-c3ccccc3)nc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is UQQCHCLKFQVZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-16-15(20-17(26-16)13-7-4-3-5-8-13)18(24)22(21-12)11-14(23)19-9-6-10-25-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,23).
What are the key properties of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).