N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C22H20N4O4S — CID 121050342

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3nc(-c4ccc(OC)cc4)ccc3=O)sc2c1
InChIInChI=1S/C22H20N4O4S/c1-3-30-16-8-9-18-19(12-16)31-22(23-18)24-20(27)13-26-21(28)11-10-17(25-26)14-4-6-15(29-2)7-5-14/h4-12H,3,13H2,1-2H3,(H,23,24,27)
InChIKeyWQFFHQJDAKGRJG-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.57
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050342) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050342
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3nc(-c4ccc(OC)cc4)ccc3=O)sc2c1
InChIInChI=1S/C22H20N4O4S/c1-3-30-16-8-9-18-19(12-16)31-22(23-18)24-20(27)13-26-21(28)11-10-17(25-26)14-4-6-15(29-2)7-5-14/h4-12H,3,13H2,1-2H3,(H,23,24,27)
InChIKeyWQFFHQJDAKGRJG-UHFFFAOYSA-N
XLogP3.57
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 121051667
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051541
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7663227
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7660100
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 4185125
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 121050569
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7662212
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050342) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is CCOc1ccc2nc(NC(=O)Cn3nc(-c4ccc(OC)cc4)ccc3=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is WQFFHQJDAKGRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-3-30-16-8-9-18-19(12-16)31-22(23-18)24-20(27)13-26-21(28)11-10-17(25-26)14-4-6-15(29-2)7-5-14/h4-12H,3,13H2,1-2H3,(H,23,24,27).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).