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

C16H13N3O2S — CID 794237

IUPAC4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-7-11(8-10-13)14(20)17-16-19-18-15(22-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)
InChIKeyWOWKKRUEUYGHSW-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

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

4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 794237) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID794237
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-7-11(8-10-13)14(20)17-16-19-18-15(22-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)
InChIKeyWOWKKRUEUYGHSW-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-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

Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 897595
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 3459285
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 1091313

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 794237) is 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WOWKKRUEUYGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-9-7-11(8-10-13)14(20)17-16-19-18-15(22-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 794237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).