2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

C15H9F3N2S — CID 71503593

IUPAC2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)12-8-4-7-11(9-12)14-20-19-13(21-14)10-5-2-1-3-6-10/h1-9H
InChIKeyUIOYZCPKKBAAMX-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.89
Rot. Bonds2

About 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (PubChem CID 71503593) has the molecular formula C15H9F3N2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
PubChem CID71503593
Molecular FormulaC15H9F3N2S
Molecular Weight306.31 g/mol
Exact Mass306.04
IUPAC Name2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)12-8-4-7-11(9-12)14-20-19-13(21-14)10-5-2-1-3-6-10/h1-9H
InChIKeyUIOYZCPKKBAAMX-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
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-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
2-[5-[3-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263003
2-Amino-5-(3-biphenylyl)-1,3,4-thiadiazole
CID 145964419
2,2,2-Trifluoro-1-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanone
CID 101496413
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(2-Fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 139221813
2-Phenyl-5-(phenylsulfanyl)-1,3,4-thiadiazole
CID 822049

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (CID 71503593) is 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is FC(F)(F)c1cccc(-c2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The InChIKey is UIOYZCPKKBAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2S/c16-15(17,18)12-8-4-7-11(9-12)14-20-19-13(21-14)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole has a molecular weight of 306.31 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 71503593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).