1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine

C13H14FN3S — CID 103503580

IUPAC1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H14FN3S/c1-8(15)12-7-16-13(18-12)17-5-4-9-2-3-10(14)6-11(9)17/h2-3,6-8H,4-5,15H2,1H3
InChIKeyKAEMSMALCYUSFX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.00
Rot. Bonds2

About 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 103503580) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID103503580
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H14FN3S/c1-8(15)12-7-16-13(18-12)17-5-4-9-2-3-10(14)6-11(9)17/h2-3,6-8H,4-5,15H2,1H3
InChIKeyKAEMSMALCYUSFX-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 103503580) is 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2CCc3ccc(F)cc32)s1.
What is the InChIKey of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KAEMSMALCYUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-8(15)12-7-16-13(18-12)17-5-4-9-2-3-10(14)6-11(9)17/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103503580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).