(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C12H10F3NO2S — CID 169004774

IUPAC(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(Cc2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C12H10F3NO2S/c13-12(14,15)8-3-1-7(2-4-8)5-10-16-9(6-19-10)11(17)18/h1-4,9H,5-6H2,(H,17,18)/t9-/m0/s1
InChIKeyXSQXEHZNWKZZNN-VIFPVBQESA-N
MW289.28 g/mol
LogP2.85
Rot. Bonds3

About (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 169004774) has the molecular formula C12H10F3NO2S and a molecular weight of 289.28 g/mol. Its IUPAC name is (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID169004774
Molecular FormulaC12H10F3NO2S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(Cc2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C12H10F3NO2S/c13-12(14,15)8-3-1-7(2-4-8)5-10-16-9(6-19-10)11(17)18/h1-4,9H,5-6H2,(H,17,18)/t9-/m0/s1
InChIKeyXSQXEHZNWKZZNN-VIFPVBQESA-N
XLogP2.85
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid 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

5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122121535
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 67540894
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374404
2-(bromomethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 174822238
(Z)-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid
CID 115007362
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
2-[4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115062243
ethyl 5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3-carboxylate
CID 63381559

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 169004774) is (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@@H]1CSC(Cc2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is XSQXEHZNWKZZNN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10F3NO2S/c13-12(14,15)8-3-1-7(2-4-8)5-10-16-9(6-19-10)11(17)18/h1-4,9H,5-6H2,(H,17,18)/t9-/m0/s1.
What are the key properties of (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 289.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 169004774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).