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

C11H14F3N3O2S — CID 63826771

IUPACN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1nc2sccn2c1CNCCOCC(F)(F)F
InChIInChI=1S/C11H14F3N3O2S/c1-18-9-8(17-3-5-20-10(17)16-9)6-15-2-4-19-7-11(12,13)14/h3,5,15H,2,4,6-7H2,1H3
InChIKeySOIKVYNFGXILDB-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.07
Rot. Bonds7

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

N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63826771) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63826771
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1nc2sccn2c1CNCCOCC(F)(F)F
InChIInChI=1S/C11H14F3N3O2S/c1-18-9-8(17-3-5-20-10(17)16-9)6-15-2-4-19-7-11(12,13)14/h3,5,15H,2,4,6-7H2,1H3
InChIKeySOIKVYNFGXILDB-UHFFFAOYSA-N
XLogP2.07
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 43761861
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
1-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767778
N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide
CID 106334575
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43764195
3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43773804
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 43769500

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63826771) is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is COc1nc2sccn2c1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is SOIKVYNFGXILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-18-9-8(17-3-5-20-10(17)16-9)6-15-2-4-19-7-11(12,13)14/h3,5,15H,2,4,6-7H2,1H3.
What are the key properties of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 309.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63826771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).