2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C10H11F3N4OS — CID 79258188

IUPAC2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCc1csc(Cc2noc(CNCC(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N4OS/c1-6-4-19-9(15-6)2-7-16-8(18-17-7)3-14-5-10(11,12)13/h4,14H,2-3,5H2,1H3
InChIKeyAREPATTVCNOLQB-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.08
Rot. Bonds5

About 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258188) has the molecular formula C10H11F3N4OS and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258188
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC Name2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCc1csc(Cc2noc(CNCC(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N4OS/c1-6-4-19-9(15-6)2-7-16-8(18-17-7)3-14-5-10(11,12)13/h4,14H,2-3,5H2,1H3
InChIKeyAREPATTVCNOLQB-UHFFFAOYSA-N
XLogP2.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258188) is 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine is Cc1csc(Cc2noc(CNCC(F)(F)F)n2)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is AREPATTVCNOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c1-6-4-19-9(15-6)2-7-16-8(18-17-7)3-14-5-10(11,12)13/h4,14H,2-3,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 292.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).