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

C9H5F3N2S — CID 11379210

IUPAC2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H5F3N2S/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H
InChIKeyRYCRPZMFEXOBGZ-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.22
Rot. Bonds1

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

2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 11379210) has the molecular formula C9H5F3N2S and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID11379210
Molecular FormulaC9H5F3N2S
Molecular Weight230.21 g/mol
Exact Mass230.01
IUPAC Name2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H5F3N2S/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H
InChIKeyRYCRPZMFEXOBGZ-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
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
5-(2,6-Difluorophenyl)-1,3,4-thiadiazol-2-amine
CID 935312

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 11379210) is 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is RYCRPZMFEXOBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S/c10-9(11,12)8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 230.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 11379210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).