2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide

C16H23N5O3S — CID 71840146

IUPAC2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCCN3CCOCC3)nc(C)c2s1
InChIInChI=1S/C16H23N5O3S/c1-3-13-18-14-15(25-13)11(2)19-21(16(14)23)10-12(22)17-4-5-20-6-8-24-9-7-20/h3-10H2,1-2H3,(H,17,22)
InChIKeyKPMWPGPVQDMZCG-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.17
Rot. Bonds6

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

2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 71840146) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID71840146
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCCN3CCOCC3)nc(C)c2s1
InChIInChI=1S/C16H23N5O3S/c1-3-13-18-14-15(25-13)11(2)19-21(16(14)23)10-12(22)17-4-5-20-6-8-24-9-7-20/h3-10H2,1-2H3,(H,17,22)
InChIKeyKPMWPGPVQDMZCG-UHFFFAOYSA-N
XLogP0.17
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 71840146) is 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide is CCc1nc2c(=O)n(CC(=O)NCCN3CCOCC3)nc(C)c2s1.
What is the InChIKey of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is KPMWPGPVQDMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-13-18-14-15(25-13)11(2)19-21(16(14)23)10-12(22)17-4-5-20-6-8-24-9-7-20/h3-10H2,1-2H3,(H,17,22).
What are the key properties of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 71840146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).