1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine

C11H17F3N2O2S — CID 102929654

IUPAC1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCOCCOCCc1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2O2S/c1-10(15,11(12,13)14)8-7-19-9(16-8)3-4-18-6-5-17-2/h7H,3-6,15H2,1-2H3
InChIKeyQMMJRLOQIVDXKM-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.08
Rot. Bonds7

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

1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 102929654) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID102929654
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCOCCOCCc1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2O2S/c1-10(15,11(12,13)14)8-7-19-9(16-8)3-4-18-6-5-17-2/h7H,3-6,15H2,1-2H3
InChIKeyQMMJRLOQIVDXKM-UHFFFAOYSA-N
XLogP2.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]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 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (CID 102929654) is 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is COCCOCCc1nc(C(C)(N)C(F)(F)F)cs1.
What is the InChIKey of 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is QMMJRLOQIVDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-10(15,11(12,13)14)8-7-19-9(16-8)3-4-18-6-5-17-2/h7H,3-6,15H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 298.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 102929654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).