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

C17H22N6O2S — CID 120866145

IUPAC2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCNC(C)Cc1noc(-c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n1
InChIInChI=1S/C17H22N6O2S/c1-8(18-5)7-12-20-15(25-22-12)14-11(4)19-16(26-14)13-9(2)10(3)21-23(6)17(13)24/h8,18H,7H2,1-6H3
InChIKeyBEFXGADQWRCEQZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.03
Rot. Bonds5

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

2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one (PubChem CID 120866145) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one
PubChem CID120866145
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCNC(C)Cc1noc(-c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n1
InChIInChI=1S/C17H22N6O2S/c1-8(18-5)7-12-20-15(25-22-12)14-11(4)19-16(26-14)13-9(2)10(3)21-23(6)17(13)24/h8,18H,7H2,1-6H3
InChIKeyBEFXGADQWRCEQZ-UHFFFAOYSA-N
XLogP2.03
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclohexyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 72019888
5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 166216145
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 29154225
N-butyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 53614883
[4-Methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 55249376
[5-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 55249377
4-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 56119192
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 56347591
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 56463594
N-[2-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 56790073
N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343679
1-[5-(4-Methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651223

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one (CID 120866145) is 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one is CNC(C)Cc1noc(-c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n1.
What is the InChIKey of 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one?
The InChIKey is BEFXGADQWRCEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-8(18-5)7-12-20-15(25-22-12)14-11(4)19-16(26-14)13-9(2)10(3)21-23(6)17(13)24/h8,18H,7H2,1-6H3.
What are the key properties of 2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one?
2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one has a molecular weight of 374.47 g/mol, XLogP of 2.03, 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-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one is sourced from PubChem (CID 120866145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).