3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine

C15H13FN2S — CID 175748080

IUPAC3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine
SMILESCCc1cc(-c2csc3ccc(F)cc23)cnc1N
InChIInChI=1S/C15H13FN2S/c1-2-9-5-10(7-18-15(9)17)13-8-19-14-4-3-11(16)6-12(13)14/h3-8H,2H2,1H3,(H2,17,18)
InChIKeyLSYKUSXWPMZQRK-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.25
Rot. Bonds2

About 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine

3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine (PubChem CID 175748080) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine
PubChem CID175748080
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine
SMILESCCc1cc(-c2csc3ccc(F)cc23)cnc1N
InChIInChI=1S/C15H13FN2S/c1-2-9-5-10(7-18-15(9)17)13-8-19-14-4-3-11(16)6-12(13)14/h3-8H,2H2,1H3,(H2,17,18)
InChIKeyLSYKUSXWPMZQRK-UHFFFAOYSA-N
XLogP4.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
(-)-(R)-2-(3-(1-(2-fluoropyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695591
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-fluorophenyl)urea
CID 18451372
6-fluoro-2-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137648663
6-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137653906
6-fluoro-2-(pyrimidin-5-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137661930
5-(4-Pyridin-3-ylthiophen-2-yl)pyridin-2-amine
CID 145991505
4-(1-Benzothiophen-5-yl)pyridine-2,6-diamine
CID 166632958
3-(3-Chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine
CID 11403217
4-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)pyridin-2-amine
CID 24878164
4-(3-Methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878170
3,5-Difluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine-2,6-diamine
CID 118903771

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine?
The IUPAC name of 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine (CID 175748080) is 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine?
The canonical SMILES for 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine is CCc1cc(-c2csc3ccc(F)cc23)cnc1N.
What is the InChIKey of 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine?
The InChIKey is LSYKUSXWPMZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-2-9-5-10(7-18-15(9)17)13-8-19-14-4-3-11(16)6-12(13)14/h3-8H,2H2,1H3,(H2,17,18).
What are the key properties of 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine?
3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-fluoro-1-benzothiophen-3-yl)pyridin-2-amine is sourced from PubChem (CID 175748080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).