2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole

C16H14N2S — CID 22899617

IUPAC2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
SMILESCc1ccc(-c2ccc(-c3nnc(C)s3)cc2)cc1
InChIInChI=1S/C16H14N2S/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)16-18-17-12(2)19-16/h3-10H,1-2H3
InChIKeyPOYFBXYGLVRILI-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.49
Rot. Bonds2

About 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole

2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole (PubChem CID 22899617) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
PubChem CID22899617
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
SMILESCc1ccc(-c2ccc(-c3nnc(C)s3)cc2)cc1
InChIInChI=1S/C16H14N2S/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)16-18-17-12(2)19-16/h3-10H,1-2H3
InChIKeyPOYFBXYGLVRILI-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole 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-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole (CID 22899617) is 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole is Cc1ccc(-c2ccc(-c3nnc(C)s3)cc2)cc1.
What is the InChIKey of 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole?
The InChIKey is POYFBXYGLVRILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)16-18-17-12(2)19-16/h3-10H,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole?
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole has a molecular weight of 266.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 22899617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).