Skip to content

2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one

C17H20N4O3S — CID 166280305

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CC2(CC2)CO1
InChIInChI=1S/C17H20N4O3S/c1-9-10(2)19-20(4)15(22)12(9)14-18-11(3)13(25-14)16(23)21-7-17(5-6-17)8-24-21/h5-8H2,1-4H3
InChIKeyVPASIKOFENJFRZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.00
Rot. Bonds2

About 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one

2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one (PubChem CID 166280305) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one
PubChem CID166280305
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CC2(CC2)CO1
InChIInChI=1S/C17H20N4O3S/c1-9-10(2)19-20(4)15(22)12(9)14-18-11(3)13(25-14)16(23)21-7-17(5-6-17)8-24-21/h5-8H2,1-4H3
InChIKeyVPASIKOFENJFRZ-UHFFFAOYSA-N
XLogP2.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-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 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one (CID 166280305) is 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CC2(CC2)CO1.
What is the InChIKey of 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one?
The InChIKey is VPASIKOFENJFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-9-10(2)19-20(4)15(22)12(9)14-18-11(3)13(25-14)16(23)21-7-17(5-6-17)8-24-21/h5-8H2,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one?
2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one has a molecular weight of 360.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-[4-methyl-5-(5-oxa-6-azaspiro[2.4]heptane-6-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one is sourced from PubChem (CID 166280305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.