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

C17H18N4O3S — CID 71840049

IUPACN-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOCCNC(=O)Cn1nc(C)c2sc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C17H18N4O3S/c1-11-15-14(19-16(25-15)12-6-4-3-5-7-12)17(23)21(20-11)10-13(22)18-8-9-24-2/h3-7H,8-10H2,1-2H3,(H,18,22)
InChIKeyFBUYEIRDTZXKQQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.59
Rot. Bonds6

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

N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840049) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840049
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOCCNC(=O)Cn1nc(C)c2sc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C17H18N4O3S/c1-11-15-14(19-16(25-15)12-6-4-3-5-7-12)17(23)21(20-11)10-13(22)18-8-9-24-2/h3-7H,8-10H2,1-2H3,(H,18,22)
InChIKeyFBUYEIRDTZXKQQ-UHFFFAOYSA-N
XLogP1.59
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840049) is N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is COCCNC(=O)Cn1nc(C)c2sc(-c3ccccc3)nc2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is FBUYEIRDTZXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-15-14(19-16(25-15)12-6-4-3-5-7-12)17(23)21(20-11)10-13(22)18-8-9-24-2/h3-7H,8-10H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).