3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine

C11H17F3N2O2S — CID 103151321

IUPAC3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCOCCC(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O2S/c1-17-4-2-8(15)9-6-19-10(16-9)3-5-18-7-11(12,13)14/h6,8H,2-5,7,15H2,1H3
InChIKeyCPXTVOZKTYPYGC-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.30
Rot. Bonds8

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

3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 103151321) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine
PubChem CID103151321
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCOCCC(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O2S/c1-17-4-2-8(15)9-6-19-10(16-9)3-5-18-7-11(12,13)14/h6,8H,2-5,7,15H2,1H3
InChIKeyCPXTVOZKTYPYGC-UHFFFAOYSA-N
XLogP2.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine (CID 103151321) is 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine is COCCC(N)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is CPXTVOZKTYPYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-17-4-2-8(15)9-6-19-10(16-9)3-5-18-7-11(12,13)14/h6,8H,2-5,7,15H2,1H3.
What are the key properties of 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine?
3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 298.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 103151321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).