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

C6H6F3NOS — CID 67402757

IUPAC(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncc([C@@H](O)C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-3-10-2-4(12-3)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m1/s1
InChIKeyPTOQUOQKHQMRJR-RXMQYKEDSA-N
MW197.18 g/mol
LogP2.05
Rot. Bonds1

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

(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 67402757) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID67402757
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncc([C@@H](O)C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-3-10-2-4(12-3)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m1/s1
InChIKeyPTOQUOQKHQMRJR-RXMQYKEDSA-N
XLogP2.05
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 ≤ 52.05
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-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
(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
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
[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

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol (CID 67402757) is (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol is Cc1ncc([C@@H](O)C(F)(F)F)s1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is PTOQUOQKHQMRJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-3-10-2-4(12-3)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m1/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol?
(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 197.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 67402757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).