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

C9H8FN3S — CID 65271486

IUPACN-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CNc2ncns2)cc1
InChIInChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-4,6H,5H2,(H,11,12,13)
InChIKeySWQXEZWZVGPSCY-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.29
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271486) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271486
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC NameN-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CNc2ncns2)cc1
InChIInChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-4,6H,5H2,(H,11,12,13)
InChIKeySWQXEZWZVGPSCY-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271486) is N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(CNc2ncns2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SWQXEZWZVGPSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-4,6H,5H2,(H,11,12,13).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 209.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).