N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine

C11H18F3N3S — CID 55073961

IUPACN-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCc1nc(CN(CC)CC(F)(F)F)cs1
InChIInChI=1S/C11H18F3N3S/c1-3-15-5-10-16-9(7-18-10)6-17(4-2)8-11(12,13)14/h7,15H,3-6,8H2,1-2H3
InChIKeyJBZBCWWTLNNYKA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.64
Rot. Bonds7

About N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine

N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 55073961) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
PubChem CID55073961
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCc1nc(CN(CC)CC(F)(F)F)cs1
InChIInChI=1S/C11H18F3N3S/c1-3-15-5-10-16-9(7-18-10)6-17(4-2)8-11(12,13)14/h7,15H,3-6,8H2,1-2H3
InChIKeyJBZBCWWTLNNYKA-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine (CID 55073961) is N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine is CCNCc1nc(CN(CC)CC(F)(F)F)cs1.
What is the InChIKey of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is JBZBCWWTLNNYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-15-5-10-16-9(7-18-10)6-17(4-2)8-11(12,13)14/h7,15H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine?
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 281.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55073961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).