1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C11H17F3N2OS — CID 103150577

IUPAC1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(CCOCC(F)(F)F)sc1CNC
InChIInChI=1S/C11H17F3N2OS/c1-3-8-9(6-15-2)18-10(16-8)4-5-17-7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyVQSRBDKNVOWKCY-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.55
Rot. Bonds7

About 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103150577) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103150577
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(CCOCC(F)(F)F)sc1CNC
InChIInChI=1S/C11H17F3N2OS/c1-3-8-9(6-15-2)18-10(16-8)4-5-17-7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyVQSRBDKNVOWKCY-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103150577) is 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(CCOCC(F)(F)F)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VQSRBDKNVOWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-8-9(6-15-2)18-10(16-8)4-5-17-7-11(12,13)14/h15H,3-7H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 282.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103150577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).