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

C6H6F3NOS — CID 54139485

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3NOS/c1-3(11)4-2-12-5(10-4)6(7,8)9/h2-3,11H,1H3
InChIKeyOABNWHHJJMDKIB-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.22
Rot. Bonds1

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

1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 54139485) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID54139485
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3NOS/c1-3(11)4-2-12-5(10-4)6(7,8)9/h2-3,11H,1H3
InChIKeyOABNWHHJJMDKIB-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol (CID 54139485) is 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is OABNWHHJJMDKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-3(11)4-2-12-5(10-4)6(7,8)9/h2-3,11H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(trifluoromethyl)-1,3-thiazol-4-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-4-yl]ethanol is sourced from PubChem (CID 54139485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).