2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one

C16H22N4O2S — CID 71840117

IUPAC2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCc1nc2c(=O)n(CC(=O)N3CCC(C)CC3)nc(C)c2s1
InChIInChI=1S/C16H22N4O2S/c1-4-12-17-14-15(23-12)11(3)18-20(16(14)22)9-13(21)19-7-5-10(2)6-8-19/h10H,4-9H2,1-3H3
InChIKeyCSPNMBPPYXZBNC-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.98
Rot. Bonds3

About 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one

2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 71840117) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID71840117
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCc1nc2c(=O)n(CC(=O)N3CCC(C)CC3)nc(C)c2s1
InChIInChI=1S/C16H22N4O2S/c1-4-12-17-14-15(23-12)11(3)18-20(16(14)22)9-13(21)19-7-5-10(2)6-8-19/h10H,4-9H2,1-3H3
InChIKeyCSPNMBPPYXZBNC-UHFFFAOYSA-N
XLogP1.98
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclohexyl-2-[7-methyl-4-oxo-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL]acetamide
CID 71840089
7-Methyl-5-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-4-one
CID 53161595
5-[2-(Azepan-1-YL)-2-oxoethyl]-7-methyl-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-4-one
CID 71840070
N-Cycloheptyl-2-[7-methyl-4-oxo-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL]acetamide
CID 71840083
5-[2-(4-Cyclohexylpiperazin-1-YL)-2-oxoethyl]-2-ethyl-7-methyl-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-4-one
CID 71840127
2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 71840146
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840149
2-[2-isopropyl-7-methyl-4-oxo[1,3]thiazolo[4,5-d]pyridazin-5(4H)-yl]acetic acid
CID 90488032
N,N,5-triethyl-2-methyl-thiazole-4-carboxamide
CID 13835320
N-(Cyclohexylmethyl)-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840130
N-Cyclopentyl-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840145
5-[2-(4-Cyclohexylpiperazin-1-YL)-2-oxoethyl]-7-methyl-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-4-one
CID 71840069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 71840117) is 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one is CCc1nc2c(=O)n(CC(=O)N3CCC(C)CC3)nc(C)c2s1.
What is the InChIKey of 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is CSPNMBPPYXZBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-12-17-14-15(23-12)11(3)18-20(16(14)22)9-13(21)19-7-5-10(2)6-8-19/h10H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 334.45 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71840117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).