2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

C16H16N4O2S — CID 16906730

IUPAC2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCCc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-10-4-6-11(7-5-10)13-15-14(18-9(2)23-15)16(22)20(19-13)8-12(17)21/h4-7H,3,8H2,1-2H3,(H2,17,21)
InChIKeyAOUXVKGSMZWDDC-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.88
Rot. Bonds4

About 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 16906730) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound Name2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID16906730
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCCc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-10-4-6-11(7-5-10)13-15-14(18-9(2)23-15)16(22)20(19-13)8-12(17)21/h4-7H,3,8H2,1-2H3,(H2,17,21)
InChIKeyAOUXVKGSMZWDDC-UHFFFAOYSA-N
XLogP1.88
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 16906730) is 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is CCc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1.
What is the InChIKey of 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is AOUXVKGSMZWDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-10-4-6-11(7-5-10)13-15-14(18-9(2)23-15)16(22)20(19-13)8-12(17)21/h4-7H,3,8H2,1-2H3,(H2,17,21).
What are the key properties of 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-ethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 16906730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).