2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine

C13H19F3N2OS — CID 102929609

IUPAC2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC1(c2nc(C(C)(N)C(F)(F)F)cs2)CCCC1
InChIInChI=1S/C13H19F3N2OS/c1-3-19-12(6-4-5-7-12)10-18-9(8-20-10)11(2,17)13(14,15)16/h8H,3-7,17H2,1-2H3
InChIKeySEOUIFBUZMJDPG-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.69
Rot. Bonds4

About 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine

2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 102929609) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID102929609
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC1(c2nc(C(C)(N)C(F)(F)F)cs2)CCCC1
InChIInChI=1S/C13H19F3N2OS/c1-3-19-12(6-4-5-7-12)10-18-9(8-20-10)11(2,17)13(14,15)16/h8H,3-7,17H2,1-2H3
InChIKeySEOUIFBUZMJDPG-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine (CID 102929609) is 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine is CCOC1(c2nc(C(C)(N)C(F)(F)F)cs2)CCCC1.
What is the InChIKey of 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is SEOUIFBUZMJDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-3-19-12(6-4-5-7-12)10-18-9(8-20-10)11(2,17)13(14,15)16/h8H,3-7,17H2,1-2H3.
What are the key properties of 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 308.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 102929609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).