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;hydrochloride

C17H23ClN6O2S — CID 120866144

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;hydrochloride
SMILESCNC(C)Cc1noc(-c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n1.Cl
InChIInChI=1S/C17H22N6O2S.ClH/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;1H
InChIKeyZAUGNFSFHJAVLN-UHFFFAOYSA-N
MW410.93 g/mol
LogP2.45
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;hydrochloride

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;hydrochloride (PubChem CID 120866144) has the molecular formula C17H23ClN6O2S and a molecular weight of 410.93 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;hydrochloride.

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;hydrochloride
PubChem CID120866144
Molecular FormulaC17H23ClN6O2S
Molecular Weight410.93 g/mol
Exact Mass410.13
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;hydrochloride
SMILESCNC(C)Cc1noc(-c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n1.Cl
InChIInChI=1S/C17H22N6O2S.ClH/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;1H
InChIKeyZAUGNFSFHJAVLN-UHFFFAOYSA-N
XLogP2.45
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

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
1-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867444
1-[5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867019
1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167754083
1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865361
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866179
N-methyl-1-[5-(3-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868338
5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 120866960
1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120869161
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119598676
N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865580

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;hydrochloride?
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;hydrochloride (CID 120866144) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CNC(C)Cc1noc(-c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n1.Cl.
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;hydrochloride?
The InChIKey is ZAUGNFSFHJAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S.ClH/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;1H.
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;hydrochloride?
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;hydrochloride has a molecular weight of 410.93 g/mol, XLogP of 2.45, 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;hydrochloride is sourced from PubChem (CID 120866144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).