N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine

C12H17FN2S — CID 115889252

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2S/c1-9(12-3-2-10(13)8-14-12)15-11-4-6-16-7-5-11/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyIGCANGHRAXQUEU-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine (PubChem CID 115889252) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine
PubChem CID115889252
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2S/c1-9(12-3-2-10(13)8-14-12)15-11-4-6-16-7-5-11/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyIGCANGHRAXQUEU-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine (CID 115889252) is N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine is CC(NC1CCSCC1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine?
The InChIKey is IGCANGHRAXQUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-9(12-3-2-10(13)8-14-12)15-11-4-6-16-7-5-11/h2-3,8-9,11,15H,4-7H2,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine has a molecular weight of 240.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine is sourced from PubChem (CID 115889252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).