1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine

C11H12FN3S2 — CID 107525462

IUPAC1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine
SMILESCC(Sc1ncns1)C(N)c1ccc(F)cc1
InChIInChI=1S/C11H12FN3S2/c1-7(16-11-14-6-15-17-11)10(13)8-2-4-9(12)5-3-8/h2-7,10H,13H2,1H3
InChIKeyUACCXFXGZMHNTR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.86
Rot. Bonds4

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

1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine (PubChem CID 107525462) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine
PubChem CID107525462
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine
SMILESCC(Sc1ncns1)C(N)c1ccc(F)cc1
InChIInChI=1S/C11H12FN3S2/c1-7(16-11-14-6-15-17-11)10(13)8-2-4-9(12)5-3-8/h2-7,10H,13H2,1H3
InChIKeyUACCXFXGZMHNTR-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-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 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine (CID 107525462) is 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine is CC(Sc1ncns1)C(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine?
The InChIKey is UACCXFXGZMHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-7(16-11-14-6-15-17-11)10(13)8-2-4-9(12)5-3-8/h2-7,10H,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine?
1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 107525462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).