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

C17H13ClF3NOS — CID 7249265

IUPAC(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NOS/c18-14-6-2-3-11(10-14)15(23)22-7-8-24-16(22)12-4-1-5-13(9-12)17(19,20)21/h1-6,9-10,16H,7-8H2/t16-/m0/s1
InChIKeyYHHZAJVEQSHSTG-INIZCTEOSA-N
MW371.81 g/mol
LogP5.25
Rot. Bonds2

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

(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 7249265) has the molecular formula C17H13ClF3NOS and a molecular weight of 371.81 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID7249265
Molecular FormulaC17H13ClF3NOS
Molecular Weight371.81 g/mol
Exact Mass371.04
IUPAC Name(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NOS/c18-14-6-2-3-11(10-14)15(23)22-7-8-24-16(22)12-4-1-5-13(9-12)17(19,20)21/h1-6,9-10,16H,7-8H2/t16-/m0/s1
InChIKeyYHHZAJVEQSHSTG-INIZCTEOSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chlorophenyl)-[(2S)-2-[3-(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

[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(2,4-dichlorophenyl)-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7231458
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 7249265) is (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is O=C(c1cccc(Cl)c1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is YHHZAJVEQSHSTG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13ClF3NOS/c18-14-6-2-3-11(10-14)15(23)22-7-8-24-16(22)12-4-1-5-13(9-12)17(19,20)21/h1-6,9-10,16H,7-8H2/t16-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 371.81 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7249265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).