N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine

C11H17F3N2S — CID 64565163

IUPACN-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C11H17F3N2S/c1-3-15-9(4-5-11(12,13)14)6-10-7-17-8(2)16-10/h7,9,15H,3-6H2,1-2H3
InChIKeyRXNYWPYZTRVHHK-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.31
Rot. Bonds6

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

N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (PubChem CID 64565163) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
PubChem CID64565163
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C11H17F3N2S/c1-3-15-9(4-5-11(12,13)14)6-10-7-17-8(2)16-10/h7,9,15H,3-6H2,1-2H3
InChIKeyRXNYWPYZTRVHHK-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (CID 64565163) is N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is CCNC(CCC(F)(F)F)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The InChIKey is RXNYWPYZTRVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-3-15-9(4-5-11(12,13)14)6-10-7-17-8(2)16-10/h7,9,15H,3-6H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is sourced from PubChem (CID 64565163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).