2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C18H15N5O3S — CID 16673354

IUPAC2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1ccc(-c2nc(CNC(=O)COc3ccc4nsnc4c3)no2)cc1
InChIInChI=1S/C18H15N5O3S/c1-11-2-4-12(5-3-11)18-20-16(21-26-18)9-19-17(24)10-25-13-6-7-14-15(8-13)23-27-22-14/h2-8H,9-10H2,1H3,(H,19,24)
InChIKeyJRWIBIMPPWIXOI-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.74
Rot. Bonds6

About 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 16673354) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID16673354
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1ccc(-c2nc(CNC(=O)COc3ccc4nsnc4c3)no2)cc1
InChIInChI=1S/C18H15N5O3S/c1-11-2-4-12(5-3-11)18-20-16(21-26-18)9-19-17(24)10-25-13-6-7-14-15(8-13)23-27-22-14/h2-8H,9-10H2,1H3,(H,19,24)
InChIKeyJRWIBIMPPWIXOI-UHFFFAOYSA-N
XLogP2.74
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide 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-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 16673354) is 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is Cc1ccc(-c2nc(CNC(=O)COc3ccc4nsnc4c3)no2)cc1.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is JRWIBIMPPWIXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-11-2-4-12(5-3-11)18-20-16(21-26-18)9-19-17(24)10-25-13-6-7-14-15(8-13)23-27-22-14/h2-8H,9-10H2,1H3,(H,19,24).
What are the key properties of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 381.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-5-yloxy)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 16673354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).