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

C11H14F3N3OS — CID 55010297

IUPAC[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C11H14F3N3OS/c1-7(2)17(6-11(12,13)14)9-8(5-18)16-3-4-19-10(16)15-9/h3-4,7,18H,5-6H2,1-2H3
InChIKeyAPPIHTSHCDZKKE-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.67
Rot. Bonds4

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

[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 55010297) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID55010297
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C11H14F3N3OS/c1-7(2)17(6-11(12,13)14)9-8(5-18)16-3-4-19-10(16)15-9/h3-4,7,18H,5-6H2,1-2H3
InChIKeyAPPIHTSHCDZKKE-UHFFFAOYSA-N
XLogP2.67
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 55010297) is [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is CC(C)N(CC(F)(F)F)c1nc2sccn2c1CO.
What is the InChIKey of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is APPIHTSHCDZKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-7(2)17(6-11(12,13)14)9-8(5-18)16-3-4-19-10(16)15-9/h3-4,7,18H,5-6H2,1-2H3.
What are the key properties of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 293.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 55010297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).