1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

C6H6F3NOS — CID 112639696

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-3(11)4-2-10-5(12-4)6(7,8)9/h2-3,11H,1H3
InChIKeyREKYPYFWWRTTGO-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.22
Rot. Bonds1

About 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 112639696) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID112639696
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-3(11)4-2-10-5(12-4)6(7,8)9/h2-3,11H,1H3
InChIKeyREKYPYFWWRTTGO-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde
CID 59331383
(2-Isopropylthiazol-5-yl)methanol
CID 10820831
(2-Methyl-1,3-thiazol-5-yl)methanol
CID 12808792
(2-(Trifluoromethyl)-1,3-thiazol-5-yl)methanol
CID 15171127
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165633553
(1S)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165639952
1-(2-Chloro-thiazol-5-yl)-ethanol
CID 68056647
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]prop-2-yn-1-ol
CID 53699018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (CID 112639696) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is REKYPYFWWRTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-3(11)4-2-10-5(12-4)6(7,8)9/h2-3,11H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 197.18 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 112639696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).