5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C14H15FN2S — CID 113260866

IUPAC5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NCCc1nccs1
InChIInChI=1S/C14H15FN2S/c15-11-2-3-12-10(9-11)1-4-13(12)16-6-5-14-17-7-8-18-14/h2-3,7-9,13,16H,1,4-6H2
InChIKeyVOSZPACSWLJUDY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.10
Rot. Bonds4

About 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113260866) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113260866
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NCCc1nccs1
InChIInChI=1S/C14H15FN2S/c15-11-2-3-12-10(9-11)1-4-13(12)16-6-5-14-17-7-8-18-14/h2-3,7-9,13,16H,1,4-6H2
InChIKeyVOSZPACSWLJUDY-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 113260866) is 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2NCCc1nccs1.
What is the InChIKey of 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VOSZPACSWLJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-11-2-3-12-10(9-11)1-4-13(12)16-6-5-14-17-7-8-18-14/h2-3,7-9,13,16H,1,4-6H2.
What are the key properties of 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113260866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).