N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

C27H22N4O3S — CID 121052137

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cn3nc(-c4cccc5ccccc45)ccc3=O)cs2)cc1
InChIInChI=1S/C27H22N4O3S/c1-34-21-11-9-19(10-12-21)27-29-20(17-35-27)15-28-25(32)16-31-26(33)14-13-24(30-31)23-8-4-6-18-5-2-3-7-22(18)23/h2-14,17H,15-16H2,1H3,(H,28,32)
InChIKeyVWTQOFJRLGJMFN-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.51
Rot. Bonds7

About N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 121052137) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID121052137
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cn3nc(-c4cccc5ccccc45)ccc3=O)cs2)cc1
InChIInChI=1S/C27H22N4O3S/c1-34-21-11-9-19(10-12-21)27-29-20(17-35-27)15-28-25(32)16-31-26(33)14-13-24(30-31)23-8-4-6-18-5-2-3-7-22(18)23/h2-14,17H,15-16H2,1H3,(H,28,32)
InChIKeyVWTQOFJRLGJMFN-UHFFFAOYSA-N
XLogP4.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121052303
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043150
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 51044533
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517425
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
CID 56764431
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (CID 121052137) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is COc1ccc(-c2nc(CNC(=O)Cn3nc(-c4cccc5ccccc45)ccc3=O)cs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is VWTQOFJRLGJMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-34-21-11-9-19(10-12-21)27-29-20(17-35-27)15-28-25(32)16-31-26(33)14-13-24(30-31)23-8-4-6-18-5-2-3-7-22(18)23/h2-14,17H,15-16H2,1H3,(H,28,32).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 482.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 121052137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).