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

C16H14N2S — CID 139674338

IUPAC2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccccc1-c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C16H14N2S/c1-11-7-3-5-9-13(11)15-17-18-16(19-15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyUHZVXBWEPFKQGP-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.49
Rot. Bonds2

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

2,5-bis(2-methylphenyl)-1,3,4-thiadiazole (PubChem CID 139674338) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
PubChem CID139674338
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccccc1-c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C16H14N2S/c1-11-7-3-5-9-13(11)15-17-18-16(19-15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyUHZVXBWEPFKQGP-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 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole (CID 139674338) is 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole is Cc1ccccc1-c1nnc(-c2ccccc2C)s1.
What is the InChIKey of 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is UHZVXBWEPFKQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-7-3-5-9-13(11)15-17-18-16(19-15)14-10-6-4-8-12(14)2/h3-10H,1-2H3.
What are the key properties of 2,5-bis(2-methylphenyl)-1,3,4-thiadiazole?
2,5-bis(2-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(2-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139674338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).