5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C17H22N4O4S — CID 71840164

IUPAC5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCc1nc2c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)nc(C)c2s1
InChIInChI=1S/C17H22N4O4S/c1-3-12-18-14-15(26-12)11(2)19-21(16(14)23)10-13(22)20-6-4-17(5-7-20)24-8-9-25-17/h3-10H2,1-2H3
InChIKeySCCQZAHCMVCPOE-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.09
Rot. Bonds3

About 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 71840164) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID71840164
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCc1nc2c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)nc(C)c2s1
InChIInChI=1S/C17H22N4O4S/c1-3-12-18-14-15(26-12)11(2)19-21(16(14)23)10-13(22)20-6-4-17(5-7-20)24-8-9-25-17/h3-10H2,1-2H3
InChIKeySCCQZAHCMVCPOE-UHFFFAOYSA-N
XLogP1.09
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840117
6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919658
6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 71686512
7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840023
2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 71840103
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]ethanone
CID 53195713
3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53056290
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840086
2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 22510033
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methyl-5-morpholin-4-ylsulfonylthieno[2,3-d]pyrimidin-4-one
CID 126478791
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 71840164) is 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is CCc1nc2c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)nc(C)c2s1.
What is the InChIKey of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is SCCQZAHCMVCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-12-18-14-15(26-12)11(2)19-21(16(14)23)10-13(22)20-6-4-17(5-7-20)24-8-9-25-17/h3-10H2,1-2H3.
What are the key properties of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 378.45 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).