2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine

C5H8FN3S — CID 130599876

IUPAC2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine
SMILESFCCNCc1cnns1
InChIInChI=1S/C5H8FN3S/c6-1-2-7-3-5-4-8-9-10-5/h4,7H,1-3H2
InChIKeyGQCNSYXBXFMXHZ-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.60
Rot. Bonds4

About 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine

2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine (PubChem CID 130599876) has the molecular formula C5H8FN3S and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine
PubChem CID130599876
Molecular FormulaC5H8FN3S
Molecular Weight161.21 g/mol
Exact Mass161.04
IUPAC Name2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine
SMILESFCCNCc1cnns1
InChIInChI=1S/C5H8FN3S/c6-1-2-7-3-5-4-8-9-10-5/h4,7H,1-3H2
InChIKeyGQCNSYXBXFMXHZ-UHFFFAOYSA-N
XLogP0.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine (CID 130599876) is 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine is FCCNCc1cnns1.
What is the InChIKey of 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine?
The InChIKey is GQCNSYXBXFMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3S/c6-1-2-7-3-5-4-8-9-10-5/h4,7H,1-3H2.
What are the key properties of 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine?
2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine has a molecular weight of 161.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 130599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).