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

C10H15F3N2S — CID 64564956

IUPAC5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C10H15F3N2S/c1-7-15-9(6-16-7)5-8(14-2)3-4-10(11,12)13/h6,8,14H,3-5H2,1-2H3
InChIKeyIFQQWKHKUFXBDD-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.92
Rot. Bonds5

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

5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (PubChem CID 64564956) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
PubChem CID64564956
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C10H15F3N2S/c1-7-15-9(6-16-7)5-8(14-2)3-4-10(11,12)13/h6,8,14H,3-5H2,1-2H3
InChIKeyIFQQWKHKUFXBDD-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.92
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-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (CID 64564956) is 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is CNC(CCC(F)(F)F)Cc1csc(C)n1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The InChIKey is IFQQWKHKUFXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7-15-9(6-16-7)5-8(14-2)3-4-10(11,12)13/h6,8,14H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
5,5,5-trifluoro-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine has a molecular weight of 252.30 g/mol, XLogP of 2.92, 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-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is sourced from PubChem (CID 64564956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).