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

C15H12N2S — CID 139674346

IUPAC2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole
SMILESCc1cccc(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C15H12N2S/c1-11-6-5-9-13(10-11)15-17-16-14(18-15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyGIXHEINQULNDFM-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.18
Rot. Bonds2

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

2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 139674346) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID139674346
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole
SMILESCc1cccc(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C15H12N2S/c1-11-6-5-9-13(10-11)15-17-16-14(18-15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyGIXHEINQULNDFM-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

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590957
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
5-(3,5-Dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 3749662
[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684143
2-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684145

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole (CID 139674346) is 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole is Cc1cccc(-c2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is GIXHEINQULNDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-11-6-5-9-13(10-11)15-17-16-14(18-15)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole?
2-(3-methylphenyl)-5-phenyl-1,3,4-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 2-(3-methylphenyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 139674346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).