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

C12H10F3NOS — CID 10612285

IUPAC2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)9-3-1-8(2-4-9)11-16-10(5-6-17)7-18-11/h1-4,7,17H,5-6H2
InChIKeyJAPLXPVUSYMHBN-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.36
Rot. Bonds3

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

2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 10612285) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
PubChem CID10612285
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)9-3-1-8(2-4-9)11-16-10(5-6-17)7-18-11/h1-4,7,17H,5-6H2
InChIKeyJAPLXPVUSYMHBN-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol (CID 10612285) is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol is OCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is JAPLXPVUSYMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c13-12(14,15)9-3-1-8(2-4-9)11-16-10(5-6-17)7-18-11/h1-4,7,17H,5-6H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 273.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 10612285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).