2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole

C16H14N2S — CID 21042228

IUPAC2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole
SMILESCc1ccc(C)c(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H14N2S/c1-11-8-9-12(2)14(10-11)16-18-17-15(19-16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyNOZSTHSAZNTBMC-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.49
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole

2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 21042228) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID21042228
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole
SMILESCc1ccc(C)c(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H14N2S/c1-11-8-9-12(2)14(10-11)16-18-17-15(19-16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyNOZSTHSAZNTBMC-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole (CID 21042228) is 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole is Cc1ccc(C)c(-c2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is NOZSTHSAZNTBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-8-9-12(2)14(10-11)16-18-17-15(19-16)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole?
2-(2,5-dimethylphenyl)-5-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-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 21042228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).