3-benzyl-4-phenyl-1,2,5-thiadiazole

C15H12N2S — CID 12503517

IUPAC3-benzyl-4-phenyl-1,2,5-thiadiazole
SMILESc1ccc(Cc2nsnc2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2S/c1-3-7-12(8-4-1)11-14-15(17-18-16-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLMDNKFBRVYSSNE-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.80
Rot. Bonds3

About 3-benzyl-4-phenyl-1,2,5-thiadiazole

3-benzyl-4-phenyl-1,2,5-thiadiazole (PubChem CID 12503517) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-benzyl-4-phenyl-1,2,5-thiadiazole
PubChem CID12503517
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name3-benzyl-4-phenyl-1,2,5-thiadiazole
SMILESc1ccc(Cc2nsnc2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2S/c1-3-7-12(8-4-1)11-14-15(17-18-16-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLMDNKFBRVYSSNE-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4-phenyl-1,2,5-thiadiazole 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

4,5-Diphenyl-1,2,3-triazole
CID 613500
3,4-Diphenyl-1,2,5-oxadiazole
CID 140581
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
3-Methyl-4-phenylfurazan
CID 139130
3,4-Diphenyl-1,2,5-oxadiazole 2-oxide
CID 243037
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
3-Methyl-4-phenyl-1,2,5-thiadiazole
CID 12503516
3-(Fluoromethyl)-4-phenyl-1,2,5-thiadiazole 2-oxide
CID 162393144
3-Chloro-4-phenyl-1,2,5-thiadiazole
CID 2764044
3-(4-Chlorophenyl)-4-phenyl-1,2,5-thiadiazole
CID 11086920
2-Methyl-4,5-diphenyltriazole
CID 12207436

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-1,2,5-thiadiazole?
The IUPAC name of 3-benzyl-4-phenyl-1,2,5-thiadiazole (CID 12503517) is 3-benzyl-4-phenyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-benzyl-4-phenyl-1,2,5-thiadiazole?
The canonical SMILES for 3-benzyl-4-phenyl-1,2,5-thiadiazole is c1ccc(Cc2nsnc2-c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-4-phenyl-1,2,5-thiadiazole?
The InChIKey is LMDNKFBRVYSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-3-7-12(8-4-1)11-14-15(17-18-16-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3-benzyl-4-phenyl-1,2,5-thiadiazole?
3-benzyl-4-phenyl-1,2,5-thiadiazole has a molecular weight of 252.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-1,2,5-thiadiazole is sourced from PubChem (CID 12503517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).