N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C22H20N4O4S — CID 121123713

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NCc2sc(-c3ccco3)nc2C)n1
InChIInChI=1S/C22H20N4O4S/c1-14-19(31-22(24-14)18-8-5-11-30-18)12-23-20(27)13-26-21(28)10-9-16(25-26)15-6-3-4-7-17(15)29-2/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyZMYGVCHQANVCMA-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.26
Rot. Bonds7

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121123713) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121123713
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NCc2sc(-c3ccco3)nc2C)n1
InChIInChI=1S/C22H20N4O4S/c1-14-19(31-22(24-14)18-8-5-11-30-18)12-23-20(27)13-26-21(28)10-9-16(25-26)15-6-3-4-7-17(15)29-2/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyZMYGVCHQANVCMA-UHFFFAOYSA-N
XLogP3.26
TPSA99.25 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121123620
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547206
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123245
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 121123701
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 71795680
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121123828
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide
CID 90547207
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 645271

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121123713) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2sc(-c3ccco3)nc2C)n1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ZMYGVCHQANVCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-14-19(31-22(24-14)18-8-5-11-30-18)12-23-20(27)13-26-21(28)10-9-16(25-26)15-6-3-4-7-17(15)29-2/h3-11H,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121123713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).