2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C10H12F3N3O2S — CID 107481078

IUPAC2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)6-15(1-3-17)8-7(5-18)16-2-4-19-9(16)14-8/h2,4,17-18H,1,3,5-6H2
InChIKeyJOWNJUYZYNMPFY-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.25
Rot. Bonds5

About 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481078) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481078
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)6-15(1-3-17)8-7(5-18)16-2-4-19-9(16)14-8/h2,4,17-18H,1,3,5-6H2
InChIKeyJOWNJUYZYNMPFY-UHFFFAOYSA-N
XLogP1.25
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107481078) is 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1nc2sccn2c1CO.
What is the InChIKey of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JOWNJUYZYNMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)6-15(1-3-17)8-7(5-18)16-2-4-19-9(16)14-8/h2,4,17-18H,1,3,5-6H2.
What are the key properties of 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 295.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).