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

C3H4FN3S — CID 53418307

IUPAC5-(fluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CF)s1
InChIInChI=1S/C3H4FN3S/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7)
InChIKeyFNEWTERNBPPUQE-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.59
Rot. Bonds1

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

5-(fluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 53418307) has the molecular formula C3H4FN3S and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID53418307
Molecular FormulaC3H4FN3S
Molecular Weight133.15 g/mol
Exact Mass133.01
IUPAC Name5-(fluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CF)s1
InChIInChI=1S/C3H4FN3S/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7)
InChIKeyFNEWTERNBPPUQE-UHFFFAOYSA-N
XLogP0.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine (CID 53418307) is 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CF)s1.
What is the InChIKey of 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FNEWTERNBPPUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3S/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7).
What are the key properties of 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine?
5-(fluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 133.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 53418307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).