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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).