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

C10H12F3N3OS — CID 55010630

IUPAC[6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C10H12F3N3OS/c1-2-15(6-10(11,12)13)8-7(5-17)16-3-4-18-9(16)14-8/h3-4,17H,2,5-6H2,1H3
InChIKeyVPCVFXVBTYJFSL-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.28
Rot. Bonds4

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

[6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 55010630) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID55010630
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name[6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C10H12F3N3OS/c1-2-15(6-10(11,12)13)8-7(5-17)16-3-4-18-9(16)14-8/h3-4,17H,2,5-6H2,1H3
InChIKeyVPCVFXVBTYJFSL-UHFFFAOYSA-N
XLogP2.28
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 55010630) is [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is CCN(CC(F)(F)F)c1nc2sccn2c1CO.
What is the InChIKey of [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is VPCVFXVBTYJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-2-15(6-10(11,12)13)8-7(5-17)16-3-4-18-9(16)14-8/h3-4,17H,2,5-6H2,1H3.
What are the key properties of [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 279.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 55010630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).