2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol

C9H11F3N2O2S — CID 67401740

IUPAC2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol
SMILESOC(c1cnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)7(15)6-5-13-8(17-6)14-1-3-16-4-2-14/h5,7,15H,1-4H2
InChIKeyXBDYHTAOQDVUAO-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.58
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol

2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol (PubChem CID 67401740) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol
PubChem CID67401740
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol
SMILESOC(c1cnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)7(15)6-5-13-8(17-6)14-1-3-16-4-2-14/h5,7,15H,1-4H2
InChIKeyXBDYHTAOQDVUAO-UHFFFAOYSA-N
XLogP1.58
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol (CID 67401740) is 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol is OC(c1cnc(N2CCOCC2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol?
The InChIKey is XBDYHTAOQDVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c10-9(11,12)7(15)6-5-13-8(17-6)14-1-3-16-4-2-14/h5,7,15H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol?
2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol has a molecular weight of 268.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 67401740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).