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

C8H6FN3S — CID 848588

IUPAC5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C8H6FN3S/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyHIUFXEMEPWWSHH-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.93
Rot. Bonds1

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

5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 848588) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID848588
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C8H6FN3S/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyHIUFXEMEPWWSHH-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 848588) is 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HIUFXEMEPWWSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12).
What are the key properties of 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 195.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 848588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).