2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C23H17N3OS — CID 16905898

IUPAC2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n(Cc3cccc4ccccc34)nc(-c3ccccc3)c2s1
InChIInChI=1S/C23H17N3OS/c1-15-24-21-22(28-15)20(17-9-3-2-4-10-17)25-26(23(21)27)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13H,14H2,1H3
InChIKeyMTWUIKZIOPNYNW-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.03
Rot. Bonds3

About 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 16905898) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID16905898
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n(Cc3cccc4ccccc34)nc(-c3ccccc3)c2s1
InChIInChI=1S/C23H17N3OS/c1-15-24-21-22(28-15)20(17-9-3-2-4-10-17)25-26(23(21)27)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13H,14H2,1H3
InChIKeyMTWUIKZIOPNYNW-UHFFFAOYSA-N
XLogP5.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906273
N-benzyl-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905876
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16905882
5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16905984
5-[2-(3-methoxyphenyl)-2-oxoethyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16905920
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-prop-2-enylacetamide
CID 16905910
N-benzyl-2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906069
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-phenylethyl)acetamide
CID 16905880
7-(3-methoxyphenyl)-2-methyl-5-[(3-methylphenyl)methyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906585
ethyl 2-[[2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetyl]amino]acetate
CID 16905875
5-[(4-bromophenyl)methyl]-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 16905898) is 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nc2c(=O)n(Cc3cccc4ccccc34)nc(-c3ccccc3)c2s1.
What is the InChIKey of 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is MTWUIKZIOPNYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-15-24-21-22(28-15)20(17-9-3-2-4-10-17)25-26(23(21)27)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13H,14H2,1H3.
What are the key properties of 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 383.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(naphthalen-1-ylmethyl)-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 16905898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).