2,5-bis(4-methylphenyl)-1,3,4-thiadiazole

C16H14N2S — CID 12680531

IUPAC2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C16H14N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyYLFSVUZJSJOYSW-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.49
Rot. Bonds2

About 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole

2,5-bis(4-methylphenyl)-1,3,4-thiadiazole (PubChem CID 12680531) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
PubChem CID12680531
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C16H14N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyYLFSVUZJSJOYSW-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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Related Compounds

2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 3555790
2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176952533
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 123885731
ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 144948289
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 105490005
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
CID 91493017
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole (CID 12680531) is 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3ccc(C)cc3)s2)cc1.
What is the InChIKey of 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is YLFSVUZJSJOYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole?
2,5-bis(4-methylphenyl)-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 2,5-bis(4-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 12680531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).