3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine

C6H10FN3S — CID 115908278

IUPAC3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESFCCCNCc1csnn1
InChIInChI=1S/C6H10FN3S/c7-2-1-3-8-4-6-5-11-10-9-6/h5,8H,1-4H2
InChIKeyAUNHLHHSLWYQST-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.99
Rot. Bonds5

About 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 115908278) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID115908278
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC Name3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESFCCCNCc1csnn1
InChIInChI=1S/C6H10FN3S/c7-2-1-3-8-4-6-5-11-10-9-6/h5,8H,1-4H2
InChIKeyAUNHLHHSLWYQST-UHFFFAOYSA-N
XLogP0.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N-(thiadiazol-4-ylmethyl)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 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 115908278) is 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine is FCCCNCc1csnn1.
What is the InChIKey of 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is AUNHLHHSLWYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c7-2-1-3-8-4-6-5-11-10-9-6/h5,8H,1-4H2.
What are the key properties of 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 175.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 115908278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).