3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide

C24H28N4O3S — CID 3358189

IUPAC3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(Cc2nsc(Oc3cccc(C(=O)NCCCN4CCOCC4)c3)n2)cc1
InChIInChI=1S/C24H28N4O3S/c1-18-6-8-19(9-7-18)16-22-26-24(32-27-22)31-21-5-2-4-20(17-21)23(29)25-10-3-11-28-12-14-30-15-13-28/h2,4-9,17H,3,10-16H2,1H3,(H,25,29)
InChIKeyAFXIBLHXUNMACI-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.68
Rot. Bonds9

About 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide

3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3358189) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3358189
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(Cc2nsc(Oc3cccc(C(=O)NCCCN4CCOCC4)c3)n2)cc1
InChIInChI=1S/C24H28N4O3S/c1-18-6-8-19(9-7-18)16-22-26-24(32-27-22)31-21-5-2-4-20(17-21)23(29)25-10-3-11-28-12-14-30-15-13-28/h2,4-9,17H,3,10-16H2,1H3,(H,25,29)
InChIKeyAFXIBLHXUNMACI-UHFFFAOYSA-N
XLogP3.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide 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

4-methoxy-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3924257
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42775270
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5028109
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 3645254
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 3649113
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 5228129
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(2-phenylethyl)benzamide
CID 4304548
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 3998889
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide (CID 3358189) is 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(Cc2nsc(Oc3cccc(C(=O)NCCCN4CCOCC4)c3)n2)cc1.
What is the InChIKey of 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is AFXIBLHXUNMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-6-8-19(9-7-18)16-22-26-24(32-27-22)31-21-5-2-4-20(17-21)23(29)25-10-3-11-28-12-14-30-15-13-28/h2,4-9,17H,3,10-16H2,1H3,(H,25,29).
What are the key properties of 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide?
3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3358189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).