ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate

C13H12F3NO3S — CID 57337724

IUPACethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1SC(c2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C13H12F3NO3S/c1-2-20-11(18)9-12(19,13(14,15)16)17-10(21-9)8-6-4-3-5-7-8/h3-7,9,19H,2H2,1H3
InChIKeyNPAJAPOGGMKZHX-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.36
Rot. Bonds3

About ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate

ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate (PubChem CID 57337724) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate
PubChem CID57337724
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC Nameethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1SC(c2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C13H12F3NO3S/c1-2-20-11(18)9-12(19,13(14,15)16)17-10(21-9)8-6-4-3-5-7-8/h3-7,9,19H,2H2,1H3
InChIKeyNPAJAPOGGMKZHX-UHFFFAOYSA-N
XLogP2.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-oxo-2-phenyl-1,3-thiazole-5-carboxylate
CID 71610298
ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
diethyl 4-phenyl-2,6-bis(trifluoromethyl)-2,3-dihydropyridine-3,5-dicarboxylate
CID 88705457
ethyl (5S,6R,7S)-5-hydroxy-7-phenyl-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135721624
ethyl (2R)-3-iodo-4-phenyl-2-(trifluoromethyl)oxete-2-carboxylate
CID 57344143
ethyl (2R,3S)-2-hydroxy-2-(trifluoromethyl)-1,4-oxathiane-3-carboxylate
CID 11139839
4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol
CID 2784706
ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477
ethyl (4R,5R,6S)-4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 7065854
ethyl 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate
CID 3147075

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate (CID 57337724) is ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate is CCOC(=O)C1SC(c2ccccc2)=NC1(O)C(F)(F)F.
What is the InChIKey of ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate?
The InChIKey is NPAJAPOGGMKZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c1-2-20-11(18)9-12(19,13(14,15)16)17-10(21-9)8-6-4-3-5-7-8/h3-7,9,19H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate?
ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate has a molecular weight of 319.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57337724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).