5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine

C11H17F3N2S — CID 113327159

IUPAC5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cscn1
InChIInChI=1S/C11H17F3N2S/c1-2-6-15-9(10-7-17-8-16-10)4-3-5-11(12,13)14/h7-9,15H,2-6H2,1H3
InChIKeySLACHGVXVIJARE-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.92
Rot. Bonds7

About 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine

5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine (PubChem CID 113327159) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine
PubChem CID113327159
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cscn1
InChIInChI=1S/C11H17F3N2S/c1-2-6-15-9(10-7-17-8-16-10)4-3-5-11(12,13)14/h7-9,15H,2-6H2,1H3
InChIKeySLACHGVXVIJARE-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine (CID 113327159) is 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine is CCCNC(CCCC(F)(F)F)c1cscn1.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
The InChIKey is SLACHGVXVIJARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-2-6-15-9(10-7-17-8-16-10)4-3-5-11(12,13)14/h7-9,15H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine is sourced from PubChem (CID 113327159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).