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

C14H13F3N2O2S — CID 135941243

IUPAC4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(/C=N/c2cccc(C(F)(F)F)c2)sc1=O
InChIInChI=1S/C14H13F3N2O2S/c1-8(2)19-12(20)11(22-13(19)21)7-18-10-5-3-4-9(6-10)14(15,16)17/h3-8,20H,1-2H3/b18-7+
InChIKeyYKZXREJBROYQKH-CNHKJKLMSA-N
MW330.33 g/mol
LogP3.97
Rot. Bonds3

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

4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one (PubChem CID 135941243) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one
PubChem CID135941243
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(/C=N/c2cccc(C(F)(F)F)c2)sc1=O
InChIInChI=1S/C14H13F3N2O2S/c1-8(2)19-12(20)11(22-13(19)21)7-18-10-5-3-4-9(6-10)14(15,16)17/h3-8,20H,1-2H3/b18-7+
InChIKeyYKZXREJBROYQKH-CNHKJKLMSA-N
XLogP3.97
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one
CID 135941255
3-ethyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione
CID 4604201
4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941223
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
5-methyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1485847
6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrimidin-4-one
CID 872788
3-hydroxy-2-(6-methyl-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
CID 2398465
3-hydroxy-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
CID 135709242
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
4-hydroxy-3-[[3-(trifluoromethyl)phenyl]iminomethyl]chromen-2-one
CID 135460928
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232
1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
CID 135669195

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one (CID 135941243) is 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one is CC(C)n1c(O)c(/C=N/c2cccc(C(F)(F)F)c2)sc1=O.
What is the InChIKey of 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one?
The InChIKey is YKZXREJBROYQKH-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-8(2)19-12(20)11(22-13(19)21)7-18-10-5-3-4-9(6-10)14(15,16)17/h3-8,20H,1-2H3/b18-7+.
What are the key properties of 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one?
4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one has a molecular weight of 330.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135941243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).