2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol

C6H6F3NOS — CID 84667361

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol
SMILESOCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)4-3-12-5(10-4)1-2-11/h3,11H,1-2H2
InChIKeyGBSHMWKLXJFCDO-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.70
Rot. Bonds2

About 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 84667361) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol
PubChem CID84667361
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol
SMILESOCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)4-3-12-5(10-4)1-2-11/h3,11H,1-2H2
InChIKeyGBSHMWKLXJFCDO-UHFFFAOYSA-N
XLogP1.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol (CID 84667361) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol is OCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is GBSHMWKLXJFCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c7-6(8,9)4-3-12-5(10-4)1-2-11/h3,11H,1-2H2.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 197.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 84667361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).