6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine

C12H19F3N2S — CID 104926078

IUPAC6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC(C)c1nccs1
InChIInChI=1S/C12H19F3N2S/c1-9(11-16-6-7-18-11)8-17-10(2)4-3-5-12(13,14)15/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeyAUWOAYQWVXASKR-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.96
Rot. Bonds7

About 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine

6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine (PubChem CID 104926078) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine
PubChem CID104926078
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC(C)c1nccs1
InChIInChI=1S/C12H19F3N2S/c1-9(11-16-6-7-18-11)8-17-10(2)4-3-5-12(13,14)15/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeyAUWOAYQWVXASKR-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine (CID 104926078) is 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine is CC(CCCC(F)(F)F)NCC(C)c1nccs1.
What is the InChIKey of 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine?
The InChIKey is AUWOAYQWVXASKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-9(11-16-6-7-18-11)8-17-10(2)4-3-5-12(13,14)15/h6-7,9-10,17H,3-5,8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine?
6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]hexan-2-amine is sourced from PubChem (CID 104926078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).