2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine

C9H9FN4S — CID 104786715

IUPAC2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2cncc(F)c2)s1
InChIInChI=1S/C9H9FN4S/c10-7-3-6(4-12-5-7)9-14-13-8(15-9)1-2-11/h3-5H,1-2,11H2
InChIKeyMYIZJYNDTOOXLC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.24
Rot. Bonds3

About 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 104786715) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID104786715
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2cncc(F)c2)s1
InChIInChI=1S/C9H9FN4S/c10-7-3-6(4-12-5-7)9-14-13-8(15-9)1-2-11/h3-5H,1-2,11H2
InChIKeyMYIZJYNDTOOXLC-UHFFFAOYSA-N
XLogP1.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 104786719
N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 104786721
2-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80502983
2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823788
2-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205794
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112
2-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81488182
2-(5-fluoro-3-pyridinyl)-1,3-thiazole
CID 66633860
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
[5-(5-fluoro-3-pyridinyl)-3-pyridinyl]methanamine
CID 82506490
5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 79732174
4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
CID 123457778

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 104786715) is 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine is NCCc1nnc(-c2cncc(F)c2)s1.
What is the InChIKey of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is MYIZJYNDTOOXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c10-7-3-6(4-12-5-7)9-14-13-8(15-9)1-2-11/h3-5H,1-2,11H2.
What are the key properties of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 224.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 104786715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).