2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol

C15H15F3N2OS2 — CID 166839592

IUPAC2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESOC(c1ncc(-c2ccc(N3CCSCC3)cc2)s1)C(F)(F)F
InChIInChI=1S/C15H15F3N2OS2/c16-15(17,18)13(21)14-19-9-12(23-14)10-1-3-11(4-2-10)20-5-7-22-8-6-20/h1-4,9,13,21H,5-8H2
InChIKeyWFOWVLLTRFIOTL-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.96
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol

2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 166839592) has the molecular formula C15H15F3N2OS2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID166839592
Molecular FormulaC15H15F3N2OS2
Molecular Weight360.43 g/mol
Exact Mass360.06
IUPAC Name2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESOC(c1ncc(-c2ccc(N3CCSCC3)cc2)s1)C(F)(F)F
InChIInChI=1S/C15H15F3N2OS2/c16-15(17,18)13(21)14-19-9-12(23-14)10-1-3-11(4-2-10)20-5-7-22-8-6-20/h1-4,9,13,21H,5-8H2
InChIKeyWFOWVLLTRFIOTL-UHFFFAOYSA-N
XLogP3.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.96
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-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol (CID 166839592) is 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol is OC(c1ncc(-c2ccc(N3CCSCC3)cc2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is WFOWVLLTRFIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS2/c16-15(17,18)13(21)14-19-9-12(23-14)10-1-3-11(4-2-10)20-5-7-22-8-6-20/h1-4,9,13,21H,5-8H2.
What are the key properties of 2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol?
2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 360.43 g/mol, XLogP of 3.96, 3 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-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 166839592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).