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

C5H4F3NOS — CID 131067597

IUPAC(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
SMILESO[C@@H](c1ccsn1)C(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)4(10)3-1-2-11-9-3/h1-2,4,10H/t4-/m0/s1
InChIKeyIWSXJBGPWMZFEQ-BYPYZUCNSA-N
MW183.15 g/mol
LogP1.74
Rot. Bonds1

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

(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 131067597) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
PubChem CID131067597
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
SMILESO[C@@H](c1ccsn1)C(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)4(10)3-1-2-11-9-3/h1-2,4,10H/t4-/m0/s1
InChIKeyIWSXJBGPWMZFEQ-BYPYZUCNSA-N
XLogP1.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(Trifluoromethyl)-1,2-thiazol-3-yl]methanol
CID 130605286
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
2,2-Difluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131096578
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
Isothiazol-3-ylmethanol
CID 18361854
1-(Isothiazol-3-yl)ethanol
CID 19017861
2-Hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde
CID 23459397
3-Chloro-1-(1,2-thiazol-3-yl)propan-1-ol
CID 69648256
3-Azido-1-(1,2-thiazol-3-yl)propan-1-ol
CID 91451221
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol (CID 131067597) is (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol is O[C@@H](c1ccsn1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is IWSXJBGPWMZFEQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)4(10)3-1-2-11-9-3/h1-2,4,10H/t4-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol?
(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 183.15 g/mol, XLogP of 1.74, 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-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 131067597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).