(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol

C6H6F3NO2S — CID 130593114

IUPAC(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol
SMILESCOc1ncc([C@@H](O)C(F)(F)F)s1
InChIInChI=1S/C6H6F3NO2S/c1-12-5-10-2-3(13-5)4(11)6(7,8)9/h2,4,11H,1H3/t4-/m1/s1
InChIKeyXYKILZKILNAMOW-SCSAIBSYSA-N
MW213.18 g/mol
LogP1.75
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol

(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol (PubChem CID 130593114) has the molecular formula C6H6F3NO2S and a molecular weight of 213.18 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol
PubChem CID130593114
Molecular FormulaC6H6F3NO2S
Molecular Weight213.18 g/mol
Exact Mass213.01
IUPAC Name(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol
SMILESCOc1ncc([C@@H](O)C(F)(F)F)s1
InChIInChI=1S/C6H6F3NO2S/c1-12-5-10-2-3(13-5)4(11)6(7,8)9/h2,4,11H,1H3/t4-/m1/s1
InChIKeyXYKILZKILNAMOW-SCSAIBSYSA-N
XLogP1.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
CID 67402697
1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine
CID 130593121
2-methoxy-1,3-thiazol-5-ol
CID 130658802
2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
CID 131090488
2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
CID 137411203
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol
CID 130593139
2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol
CID 91927202
2,2,2-trifluoro-1-[2-(4-fluoro-2,1,3-benzoxadiazol-6-yl)-1,3-thiazol-5-yl]ethanol
CID 123464269
1-(2-chloro-6-methoxy-1,3-benzothiazol-4-yl)-2,2,2-trifluoroethanol
CID 134181364
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
3-(2-methoxy-1,3-thiazol-5-yl)aniline
CID 130593160

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol (CID 130593114) is (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol is COc1ncc([C@@H](O)C(F)(F)F)s1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol?
The InChIKey is XYKILZKILNAMOW-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H6F3NO2S/c1-12-5-10-2-3(13-5)4(11)6(7,8)9/h2,4,11H,1H3/t4-/m1/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol?
(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol has a molecular weight of 213.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 130593114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).