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

C18H14F3NO2S — CID 78880752

IUPAC[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3NO2S/c19-18(20,21)14-7-5-12(6-8-14)17-22-15(11-25-17)10-24-16-4-2-1-3-13(16)9-23/h1-8,11,23H,9-10H2
InChIKeyGRJCUUSPJXQGNY-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.90
Rot. Bonds5

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

[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol (PubChem CID 78880752) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
PubChem CID78880752
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3NO2S/c19-18(20,21)14-7-5-12(6-8-14)17-22-15(11-25-17)10-24-16-4-2-1-3-13(16)9-23/h1-8,11,23H,9-10H2
InChIKeyGRJCUUSPJXQGNY-UHFFFAOYSA-N
XLogP4.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880755
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
CID 55794716
2-[1-[(4-chlorophenyl)methyl]-2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]indol-3-yl]acetic acid
CID 54506418
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
3-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]butanoic acid
CID 70842742
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
N-(3-hydroxy-2-pyridinyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 30345603
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol (CID 78880752) is [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol is OCc1ccccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is GRJCUUSPJXQGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c19-18(20,21)14-7-5-12(6-8-14)17-22-15(11-25-17)10-24-16-4-2-1-3-13(16)9-23/h1-8,11,23H,9-10H2.
What are the key properties of [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 365.38 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 78880752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).