N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine

C16H15FN2S — CID 19360142

IUPACN-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine
SMILESCCCN(c1ccncc1)c1csc2cc(F)ccc12
InChIInChI=1S/C16H15FN2S/c1-2-9-19(13-5-7-18-8-6-13)15-11-20-16-10-12(17)3-4-14(15)16/h3-8,10-11H,2,9H2,1H3
InChIKeyJHEANOJOZQXQQE-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.98
Rot. Bonds4

About N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine

N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine (PubChem CID 19360142) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine
PubChem CID19360142
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC NameN-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine
SMILESCCCN(c1ccncc1)c1csc2cc(F)ccc12
InChIInChI=1S/C16H15FN2S/c1-2-9-19(13-5-7-18-8-6-13)15-11-20-16-10-12(17)3-4-14(15)16/h3-8,10-11H,2,9H2,1H3
InChIKeyJHEANOJOZQXQQE-UHFFFAOYSA-N
XLogP4.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine?
The IUPAC name of N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine (CID 19360142) is N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine.
What is the SMILES notation for N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine?
The canonical SMILES for N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine is CCCN(c1ccncc1)c1csc2cc(F)ccc12.
What is the InChIKey of N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine?
The InChIKey is JHEANOJOZQXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-2-9-19(13-5-7-18-8-6-13)15-11-20-16-10-12(17)3-4-14(15)16/h3-8,10-11H,2,9H2,1H3.
What are the key properties of N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine?
N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine is sourced from PubChem (CID 19360142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).