2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one

C18H22N6O2S — CID 75457147

IUPAC2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCc1nc(C2(NCc3csc(-c4c(C)c(C)nn(C)c4=O)n3)CCC2)no1
InChIInChI=1S/C18H22N6O2S/c1-10-11(2)22-24(4)16(25)14(10)15-21-13(9-27-15)8-19-18(6-5-7-18)17-20-12(3)26-23-17/h9,19H,5-8H2,1-4H3
InChIKeyNCNNALQHIQFOKZ-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.38
Rot. Bonds5

About 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one

2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one (PubChem CID 75457147) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one
PubChem CID75457147
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCc1nc(C2(NCc3csc(-c4c(C)c(C)nn(C)c4=O)n3)CCC2)no1
InChIInChI=1S/C18H22N6O2S/c1-10-11(2)22-24(4)16(25)14(10)15-21-13(9-27-15)8-19-18(6-5-7-18)17-20-12(3)26-23-17/h9,19H,5-8H2,1-4H3
InChIKeyNCNNALQHIQFOKZ-UHFFFAOYSA-N
XLogP2.38
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one (CID 75457147) is 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one is Cc1nc(C2(NCc3csc(-c4c(C)c(C)nn(C)c4=O)n3)CCC2)no1.
What is the InChIKey of 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
The InChIKey is NCNNALQHIQFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-10-11(2)22-24(4)16(25)14(10)15-21-13(9-27-15)8-19-18(6-5-7-18)17-20-12(3)26-23-17/h9,19H,5-8H2,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one has a molecular weight of 386.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one is sourced from PubChem (CID 75457147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).