4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C20H22N4O3S — CID 16885544

IUPAC4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc(C)cs3)n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-27-16-8-6-15(7-9-16)17-10-11-19(26)24(23-17)12-4-5-18(25)22-20-21-14(2)13-28-20/h6-11,13H,3-5,12H2,1-2H3,(H,21,22,25)
InChIKeyOFWDVHLYEXACCM-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.49
Rot. Bonds8

About 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 16885544) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID16885544
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc(C)cs3)n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-27-16-8-6-15(7-9-16)17-10-11-19(26)24(23-17)12-4-5-18(25)22-20-21-14(2)13-28-20/h6-11,13H,3-5,12H2,1-2H3,(H,21,22,25)
InChIKeyOFWDVHLYEXACCM-UHFFFAOYSA-N
XLogP3.49
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 16885544) is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc(C)cs3)n2)cc1.
What is the InChIKey of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is OFWDVHLYEXACCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-27-16-8-6-15(7-9-16)17-10-11-19(26)24(23-17)12-4-5-18(25)22-20-21-14(2)13-28-20/h6-11,13H,3-5,12H2,1-2H3,(H,21,22,25).
What are the key properties of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 398.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 16885544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).