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

C9H13F3N2S — CID 115517477

IUPAC5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cscn1
InChIInChI=1S/C9H13F3N2S/c1-13-7(8-5-15-6-14-8)3-2-4-9(10,11)12/h5-7,13H,2-4H2,1H3
InChIKeyONUWAIVMIMDOJS-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.14
Rot. Bonds5

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

5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine (PubChem CID 115517477) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine
PubChem CID115517477
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cscn1
InChIInChI=1S/C9H13F3N2S/c1-13-7(8-5-15-6-14-8)3-2-4-9(10,11)12/h5-7,13H,2-4H2,1H3
InChIKeyONUWAIVMIMDOJS-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.14
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-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine (CID 115517477) is 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine is CNC(CCCC(F)(F)F)c1cscn1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
The InChIKey is ONUWAIVMIMDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-13-7(8-5-15-6-14-8)3-2-4-9(10,11)12/h5-7,13H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 3.14, 5 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-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine is sourced from PubChem (CID 115517477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).