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

C16H14N2S — CID 12846880

IUPAC3,5-bis(3-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nsc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C16H14N2S/c1-11-5-3-7-13(9-11)15-17-16(19-18-15)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyDYOFWBYKRLQSFB-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.49
Rot. Bonds2

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

3,5-bis(3-methylphenyl)-1,2,4-thiadiazole (PubChem CID 12846880) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(3-methylphenyl)-1,2,4-thiadiazole
PubChem CID12846880
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name3,5-bis(3-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nsc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C16H14N2S/c1-11-5-3-7-13(9-11)15-17-16(19-18-15)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyDYOFWBYKRLQSFB-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 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole (CID 12846880) is 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole is Cc1cccc(-c2nsc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is DYOFWBYKRLQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-5-3-7-13(9-11)15-17-16(19-18-15)14-8-4-6-12(2)10-14/h3-10H,1-2H3.
What are the key properties of 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole?
3,5-bis(3-methylphenyl)-1,2,4-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 3,5-bis(3-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 12846880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).