5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole

C14H11FN2S — CID 91896834

IUPAC5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESFc1cccc(C2=NNC(c3ccccc3)S2)c1
InChIInChI=1S/C14H11FN2S/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9,13,16H
InChIKeyMSKXEFSTLOZPNQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.52
Rot. Bonds2

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

5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 91896834) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID91896834
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESFc1cccc(C2=NNC(c3ccccc3)S2)c1
InChIInChI=1S/C14H11FN2S/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9,13,16H
InChIKeyMSKXEFSTLOZPNQ-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 91896834) is 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole is Fc1cccc(C2=NNC(c3ccccc3)S2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is MSKXEFSTLOZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9,13,16H.
What are the key properties of 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 258.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 91896834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).