N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

C10H10FN3S — CID 65271022

IUPACN-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccccc1CCNc1ncns1
InChIInChI=1S/C10H10FN3S/c11-9-4-2-1-3-8(9)5-6-12-10-13-7-14-15-10/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeyXYEYBHKAQHJGAU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271022) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271022
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccccc1CCNc1ncns1
InChIInChI=1S/C10H10FN3S/c11-9-4-2-1-3-8(9)5-6-12-10-13-7-14-15-10/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeyXYEYBHKAQHJGAU-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65271022) is N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine is Fc1ccccc1CCNc1ncns1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is XYEYBHKAQHJGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c11-9-4-2-1-3-8(9)5-6-12-10-13-7-14-15-10/h1-4,7H,5-6H2,(H,12,13,14).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).