1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C8H11F3N2OS — CID 103215879

IUPAC1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-4-6(12)3-7-13-1-2-15-7/h1-2,6H,3-5,12H2
InChIKeyPZDDLNUQMXNNMU-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.59
Rot. Bonds5

About 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215879) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215879
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-4-6(12)3-7-13-1-2-15-7/h1-2,6H,3-5,12H2
InChIKeyPZDDLNUQMXNNMU-UHFFFAOYSA-N
XLogP1.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-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 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215879) is 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is PZDDLNUQMXNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c9-8(10,11)5-14-4-6(12)3-7-13-1-2-15-7/h1-2,6H,3-5,12H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 240.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).