N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H14F3N3OS — CID 63221743

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nc2sccn2c1CNCCOCC(F)(F)F
InChIInChI=1S/C11H14F3N3OS/c1-8-9(17-3-5-19-10(17)16-8)6-15-2-4-18-7-11(12,13)14/h3,5,15H,2,4,6-7H2,1H3
InChIKeyHHCJYNNEANEFIW-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.37
Rot. Bonds6

About N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63221743) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63221743
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nc2sccn2c1CNCCOCC(F)(F)F
InChIInChI=1S/C11H14F3N3OS/c1-8-9(17-3-5-19-10(17)16-8)6-15-2-4-18-7-11(12,13)14/h3,5,15H,2,4,6-7H2,1H3
InChIKeyHHCJYNNEANEFIW-UHFFFAOYSA-N
XLogP2.37
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.37
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 N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63221743) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1nc2sccn2c1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HHCJYNNEANEFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-8-9(17-3-5-19-10(17)16-8)6-15-2-4-18-7-11(12,13)14/h3,5,15H,2,4,6-7H2,1H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 293.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63221743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).