phenyl-(4-phenylthiadiazol-5-yl)methanone

C15H10N2OS — CID 12739078

IUPACphenyl-(4-phenylthiadiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1snnc1-c1ccccc1
InChIInChI=1S/C15H10N2OS/c18-14(12-9-5-2-6-10-12)15-13(16-17-19-15)11-7-3-1-4-8-11/h1-10H
InChIKeyKHXNJMHEBMOUOS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.44
Rot. Bonds3

About phenyl-(4-phenylthiadiazol-5-yl)methanone

phenyl-(4-phenylthiadiazol-5-yl)methanone (PubChem CID 12739078) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is phenyl-(4-phenylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenylthiadiazol-5-yl)methanone
PubChem CID12739078
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Namephenyl-(4-phenylthiadiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1snnc1-c1ccccc1
InChIInChI=1S/C15H10N2OS/c18-14(12-9-5-2-6-10-12)15-13(16-17-19-15)11-7-3-1-4-8-11/h1-10H
InChIKeyKHXNJMHEBMOUOS-UHFFFAOYSA-N
XLogP3.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl-(4-phenylthiadiazol-5-yl)methanone 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 phenyl-(4-phenylthiadiazol-5-yl)methanone?
The IUPAC name of phenyl-(4-phenylthiadiazol-5-yl)methanone (CID 12739078) is phenyl-(4-phenylthiadiazol-5-yl)methanone.
What is the SMILES notation for phenyl-(4-phenylthiadiazol-5-yl)methanone?
The canonical SMILES for phenyl-(4-phenylthiadiazol-5-yl)methanone is O=C(c1ccccc1)c1snnc1-c1ccccc1.
What is the InChIKey of phenyl-(4-phenylthiadiazol-5-yl)methanone?
The InChIKey is KHXNJMHEBMOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c18-14(12-9-5-2-6-10-12)15-13(16-17-19-15)11-7-3-1-4-8-11/h1-10H.
What are the key properties of phenyl-(4-phenylthiadiazol-5-yl)methanone?
phenyl-(4-phenylthiadiazol-5-yl)methanone has a molecular weight of 266.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenylthiadiazol-5-yl)methanone is sourced from PubChem (CID 12739078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).