3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one

C11H17F3N2O2S — CID 111109917

IUPAC3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(CCCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-9-7-19-10(18)16(9)5-4-15(3-2-6-17)8-11(12,13)14/h7,17H,2-6,8H2,1H3
InChIKeyCPECTLAMMHYWEX-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.46
Rot. Bonds7

About 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 111109917) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID111109917
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(CCCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-9-7-19-10(18)16(9)5-4-15(3-2-6-17)8-11(12,13)14/h7,17H,2-6,8H2,1H3
InChIKeyCPECTLAMMHYWEX-UHFFFAOYSA-N
XLogP1.46
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 104858292
N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 54916428
3-[2-[1-Hydroxypropan-2-yl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 109622051
3-[2-[2-Hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 110880796
3-[2-[2,2-Dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111107227
3-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 112355829
N-ethyl-N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113339494
3-[2-[3-Methoxypropyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 133609143

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 111109917) is 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN(CCCO)CC(F)(F)F.
What is the InChIKey of 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is CPECTLAMMHYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-9-7-19-10(18)16(9)5-4-15(3-2-6-17)8-11(12,13)14/h7,17H,2-6,8H2,1H3.
What are the key properties of 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 298.33 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 111109917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).