N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C11H17F3N2OS — CID 103476057

IUPACN-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-4-15-8(2)9-6-18-10(16-9)5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyKTKHKAXGMMHOFU-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.28
Rot. Bonds7

About N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 103476057) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID103476057
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-4-15-8(2)9-6-18-10(16-9)5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyKTKHKAXGMMHOFU-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 103476057) is N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(COCC(F)(F)F)n1.
What is the InChIKey of N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is KTKHKAXGMMHOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-4-15-8(2)9-6-18-10(16-9)5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 282.33 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103476057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).