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

C12H8F3NO2S — CID 6421436

IUPAC1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1O
InChIInChI=1S/C12H8F3NO2S/c1-6(17)9-10(18)16-11(19-9)7-2-4-8(5-3-7)12(13,14)15/h2-5,18H,1H3
InChIKeyTUJUMJBKAJYABL-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.74
Rot. Bonds2

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

1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 6421436) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
PubChem CID6421436
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1O
InChIInChI=1S/C12H8F3NO2S/c1-6(17)9-10(18)16-11(19-9)7-2-4-8(5-3-7)12(13,14)15/h2-5,18H,1H3
InChIKeyTUJUMJBKAJYABL-UHFFFAOYSA-N
XLogP3.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
CID 59280725
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 82438655
ethyl 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 58934113
5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 69055704
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone (CID 6421436) is 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1O.
What is the InChIKey of 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is TUJUMJBKAJYABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c1-6(17)9-10(18)16-11(19-9)7-2-4-8(5-3-7)12(13,14)15/h2-5,18H,1H3.
What are the key properties of 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone?
1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 287.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 6421436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).