2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole

C16H13FN2S — CID 90984447

IUPAC2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(CCc3ccccc3)s2)cc1
InChIInChI=1S/C16H13FN2S/c17-14-9-7-13(8-10-14)16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyFAPHBHGWCOUZPM-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole

2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole (PubChem CID 90984447) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole
PubChem CID90984447
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(CCc3ccccc3)s2)cc1
InChIInChI=1S/C16H13FN2S/c17-14-9-7-13(8-10-14)16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyFAPHBHGWCOUZPM-UHFFFAOYSA-N
XLogP4.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.13
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
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
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-Phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684143
2-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684145
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
(5-Phenyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 71756124

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole (CID 90984447) is 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole is Fc1ccc(-c2nnc(CCc3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
The InChIKey is FAPHBHGWCOUZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c17-14-9-7-13(8-10-14)16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2.
What are the key properties of 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole has a molecular weight of 284.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 90984447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).