N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine

C14H23F3N2S — CID 116535735

IUPACN-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine
SMILESCCNC(C)(CCCC(F)(F)F)c1nc(CC)c(C)s1
InChIInChI=1S/C14H23F3N2S/c1-5-11-10(3)20-12(19-11)13(4,18-6-2)8-7-9-14(15,16)17/h18H,5-9H2,1-4H3
InChIKeyQLNOBAFFJWINSX-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.57
Rot. Bonds7

About N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine

N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine (PubChem CID 116535735) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine
PubChem CID116535735
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC NameN-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine
SMILESCCNC(C)(CCCC(F)(F)F)c1nc(CC)c(C)s1
InChIInChI=1S/C14H23F3N2S/c1-5-11-10(3)20-12(19-11)13(4,18-6-2)8-7-9-14(15,16)17/h18H,5-9H2,1-4H3
InChIKeyQLNOBAFFJWINSX-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine (CID 116535735) is N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine is CCNC(C)(CCCC(F)(F)F)c1nc(CC)c(C)s1.
What is the InChIKey of N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine?
The InChIKey is QLNOBAFFJWINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-5-11-10(3)20-12(19-11)13(4,18-6-2)8-7-9-14(15,16)17/h18H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine?
N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 116535735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).