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

C19H20N4O3S — CID 16885079

IUPAC4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc(C)cs3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-12-27-19(20-13)21-17(24)4-3-11-23-18(25)10-9-16(22-23)14-5-7-15(26-2)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,21,24)
InChIKeyKPFJIYRNESTHAD-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.10
Rot. Bonds7

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

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 16885079) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID16885079
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc(C)cs3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-12-27-19(20-13)21-17(24)4-3-11-23-18(25)10-9-16(22-23)14-5-7-15(26-2)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,21,24)
InChIKeyKPFJIYRNESTHAD-UHFFFAOYSA-N
XLogP3.10
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 16885079) is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc(C)cs3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KPFJIYRNESTHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-12-27-19(20-13)21-17(24)4-3-11-23-18(25)10-9-16(22-23)14-5-7-15(26-2)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,21,24).
What are the key properties of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 384.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 16885079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).