(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone

C17H13F4NOS — CID 1024047

IUPAC(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccccc1F)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F4NOS/c18-14-4-2-1-3-13(14)15(23)22-9-10-24-16(22)11-5-7-12(8-6-11)17(19,20)21/h1-8,16H,9-10H2/t16-/m0/s1
InChIKeyOPCFDEGCUIWZML-INIZCTEOSA-N
MW355.36 g/mol
LogP4.73
Rot. Bonds2

About (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone

(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 1024047) has the molecular formula C17H13F4NOS and a molecular weight of 355.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID1024047
Molecular FormulaC17H13F4NOS
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccccc1F)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F4NOS/c18-14-4-2-1-3-13(14)15(23)22-9-10-24-16(22)11-5-7-12(8-6-11)17(19,20)21/h1-8,16H,9-10H2/t16-/m0/s1
InChIKeyOPCFDEGCUIWZML-INIZCTEOSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone 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

thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
(2,6-dimethoxyphenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024103
furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 99985470
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 748319
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
2-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 44785158

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 1024047) is (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is O=C(c1ccccc1F)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is OPCFDEGCUIWZML-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13F4NOS/c18-14-4-2-1-3-13(14)15(23)22-9-10-24-16(22)11-5-7-12(8-6-11)17(19,20)21/h1-8,16H,9-10H2/t16-/m0/s1.
What are the key properties of (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 355.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 1024047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).