5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine

C9H12FN3S — CID 144642146

IUPAC5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine
SMILESNc1cncc(F)c1N1CCSCC1
InChIInChI=1S/C9H12FN3S/c10-7-5-12-6-8(11)9(7)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKeyIBWJBQDMVSSJGI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds1

About 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine

5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine (PubChem CID 144642146) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine
PubChem CID144642146
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine
SMILESNc1cncc(F)c1N1CCSCC1
InChIInChI=1S/C9H12FN3S/c10-7-5-12-6-8(11)9(7)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKeyIBWJBQDMVSSJGI-UHFFFAOYSA-N
XLogP1.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine?
The IUPAC name of 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine (CID 144642146) is 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine?
The canonical SMILES for 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine is Nc1cncc(F)c1N1CCSCC1.
What is the InChIKey of 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine?
The InChIKey is IBWJBQDMVSSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c10-7-5-12-6-8(11)9(7)13-1-3-14-4-2-13/h5-6H,1-4,11H2.
What are the key properties of 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine?
5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine has a molecular weight of 213.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 144642146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).