2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol

C13H14F3NOS — CID 151449116

IUPAC2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol
SMILESCC1(CCO)CSC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C13H14F3NOS/c1-12(6-7-18)8-19-11(17-12)9-2-4-10(5-3-9)13(14,15)16/h2-5,18H,6-8H2,1H3
InChIKeyPGCXHQBWMQMWJH-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.34
Rot. Bonds3

About 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol

2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol (PubChem CID 151449116) has the molecular formula C13H14F3NOS and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol
PubChem CID151449116
Molecular FormulaC13H14F3NOS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol
SMILESCC1(CCO)CSC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C13H14F3NOS/c1-12(6-7-18)8-19-11(17-12)9-2-4-10(5-3-9)13(14,15)16/h2-5,18H,6-8H2,1H3
InChIKeyPGCXHQBWMQMWJH-UHFFFAOYSA-N
XLogP3.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol (CID 151449116) is 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol is CC1(CCO)CSC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol?
The InChIKey is PGCXHQBWMQMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NOS/c1-12(6-7-18)8-19-11(17-12)9-2-4-10(5-3-9)13(14,15)16/h2-5,18H,6-8H2,1H3.
What are the key properties of 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol?
2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol has a molecular weight of 289.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 151449116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).