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

C9H8FN3S — CID 741059

IUPAC5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKeyXHFWYSOJZBOIDC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.85
Rot. Bonds2

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

5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 741059) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID741059
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKeyXHFWYSOJZBOIDC-UHFFFAOYSA-N
XLogP1.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 741059) is 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XHFWYSOJZBOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 209.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 741059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).