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

C15H12N2S — CID 12846883

IUPAC3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
SMILESCc1ccc(-c2nsc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyJUGCHHSTFUEOCF-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.18
Rot. Bonds2

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

3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole (PubChem CID 12846883) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
PubChem CID12846883
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
SMILESCc1ccc(-c2nsc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyJUGCHHSTFUEOCF-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
1,3,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-
CID 198531
1,2,4-Thiadiazole, 3,5-bis(4-chlorophenyl)-
CID 199390
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
5-Chloro-3-phenyl-1,2,4-thiadiazole
CID 32262
3,5-Bis(3-bromophenyl)-1,2,4-thiadiazole
CID 11784241
3,5-Bis(3-methylphenyl)-1,2,4-thiadiazole
CID 12846880
3,5-Bis(4-fluorophenyl)-1,2,4-thiadiazole
CID 46834487
5-(Chloromethyl)-3-phenyl-1,2,4-thiadiazole
CID 44452479
5-(Dimethylamino)-2-methyl-3-phenyl-1,2,4-thiadiazol-2-ium perchlorate
CID 3235709

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole (CID 12846883) is 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole is Cc1ccc(-c2nsc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole?
The InChIKey is JUGCHHSTFUEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole?
3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole has a molecular weight of 252.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 12846883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).