N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine

C13H19F3N2OS — CID 102929602

IUPACN-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCOC1(c2nc(CNCC(F)(F)F)cs2)CCCC1
InChIInChI=1S/C13H19F3N2OS/c1-2-19-12(5-3-4-6-12)11-18-10(8-20-11)7-17-9-13(14,15)16/h8,17H,2-7,9H2,1H3
InChIKeyFSTYPORZMIPKTD-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.60
Rot. Bonds6

About N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine

N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 102929602) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
PubChem CID102929602
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCOC1(c2nc(CNCC(F)(F)F)cs2)CCCC1
InChIInChI=1S/C13H19F3N2OS/c1-2-19-12(5-3-4-6-12)11-18-10(8-20-11)7-17-9-13(14,15)16/h8,17H,2-7,9H2,1H3
InChIKeyFSTYPORZMIPKTD-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine (CID 102929602) is N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine is CCOC1(c2nc(CNCC(F)(F)F)cs2)CCCC1.
What is the InChIKey of N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is FSTYPORZMIPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-2-19-12(5-3-4-6-12)11-18-10(8-20-11)7-17-9-13(14,15)16/h8,17H,2-7,9H2,1H3.
What are the key properties of N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 308.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 102929602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).