N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C24H19N5O3S — CID 121051824

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)n2)c1
InChIInChI=1S/C24H19N5O3S/c1-32-19-4-2-3-17(13-19)20-9-10-23(31)29(27-20)15-22(30)25-18-7-5-16(6-8-18)21-14-28-11-12-33-24(28)26-21/h2-14H,15H2,1H3,(H,25,30)
InChIKeyPBHNDSQZJKBMFB-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.93
Rot. Bonds6

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121051824) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121051824
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)n2)c1
InChIInChI=1S/C24H19N5O3S/c1-32-19-4-2-3-17(13-19)20-9-10-23(31)29(27-20)15-22(30)25-18-7-5-16(6-8-18)21-14-28-11-12-33-24(28)26-21/h2-14H,15H2,1H3,(H,25,30)
InChIKeyPBHNDSQZJKBMFB-UHFFFAOYSA-N
XLogP3.93
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052134
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 51044931
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
CID 52904235
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121051824) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)n2)c1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PBHNDSQZJKBMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-32-19-4-2-3-17(13-19)20-9-10-23(31)29(27-20)15-22(30)25-18-7-5-16(6-8-18)21-14-28-11-12-33-24(28)26-21/h2-14H,15H2,1H3,(H,25,30).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 457.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121051824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).