5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C14H11FN4S — CID 5270696

IUPAC5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C14H11FN4S/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,16H2,(H,17,19)
InChIKeyJFNYFRMCWTWDHF-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.67
Rot. Bonds3

About 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 5270696) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID5270696
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C14H11FN4S/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,16H2,(H,17,19)
InChIKeyJFNYFRMCWTWDHF-UHFFFAOYSA-N
XLogP3.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 5270696) is 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Nc1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JFNYFRMCWTWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,16H2,(H,17,19).
What are the key properties of 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).