[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

C11H8F3NOS — CID 58020796

IUPAC[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)10-9(15-8(6-16)17-10)7-4-2-1-3-5-7/h1-5,16H,6H2
InChIKeyOXQCUOYPMYAGCS-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.32
Rot. Bonds2

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

[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 58020796) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID58020796
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)10-9(15-8(6-16)17-10)7-4-2-1-3-5-7/h1-5,16H,6H2
InChIKeyOXQCUOYPMYAGCS-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 133095051
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-phenyl-1,3-thiazol-2-amine
CID 123206228
5-(1,1-difluoroethyl)-4-phenyl-1,3-thiazol-2-amine
CID 83853866
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154323409
[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol
CID 13177160
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82530079
3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
CID 175198567
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (CID 58020796) is [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is OXQCUOYPMYAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)10-9(15-8(6-16)17-10)7-4-2-1-3-5-7/h1-5,16H,6H2.
What are the key properties of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 259.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 58020796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).