N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine

C10H11FN4S — CID 83128217

IUPACN-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1snnc1-c1ccc(F)cn1
InChIInChI=1S/C10H11FN4S/c1-2-12-6-9-10(14-15-16-9)8-4-3-7(11)5-13-8/h3-5,12H,2,6H2,1H3
InChIKeyYUFZFUZHZUFFPL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.85
Rot. Bonds4

About N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine

N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine (PubChem CID 83128217) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine
PubChem CID83128217
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC NameN-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1snnc1-c1ccc(F)cn1
InChIInChI=1S/C10H11FN4S/c1-2-12-6-9-10(14-15-16-9)8-4-3-7(11)5-13-8/h3-5,12H,2,6H2,1H3
InChIKeyYUFZFUZHZUFFPL-UHFFFAOYSA-N
XLogP1.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine (CID 83128217) is N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine is CCNCc1snnc1-c1ccc(F)cn1.
What is the InChIKey of N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine?
The InChIKey is YUFZFUZHZUFFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-2-12-6-9-10(14-15-16-9)8-4-3-7(11)5-13-8/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine?
N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 83128217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).