2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C17H15N3O3S — CID 3525081

IUPAC2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1OC
InChIInChI=1S/C17H15N3O3S/c1-22-13-10-6-9-12(14(13)23-2)15(21)18-17-20-19-16(24-17)11-7-4-3-5-8-11/h3-10H,1-2H3,(H,18,20,21)
InChIKeyQTYSXQOAGLWTGR-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 3525081) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID3525081
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1OC
InChIInChI=1S/C17H15N3O3S/c1-22-13-10-6-9-12(14(13)23-2)15(21)18-17-20-19-16(24-17)11-7-4-3-5-8-11/h3-10H,1-2H3,(H,18,20,21)
InChIKeyQTYSXQOAGLWTGR-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide 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 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 3525081) is 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QTYSXQOAGLWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-13-10-6-9-12(14(13)23-2)15(21)18-17-20-19-16(24-17)11-7-4-3-5-8-11/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 3525081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).