(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone

C19H20ClNOS — CID 816020

IUPAC(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESCc1ccc([C@H]2SCCN2C(=O)[C@H](Cl)c2ccccc2)c(C)c1
InChIInChI=1S/C19H20ClNOS/c1-13-8-9-16(14(2)12-13)19-21(10-11-23-19)18(22)17(20)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11H2,1-2H3/t17-,19-/m1/s1
InChIKeyAFMBXOKXLWAQDI-IEBWSBKVSA-N
MW345.90 g/mol
LogP4.86
Rot. Bonds3

About (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone

(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone (PubChem CID 816020) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
PubChem CID816020
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC Name(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESCc1ccc([C@H]2SCCN2C(=O)[C@H](Cl)c2ccccc2)c(C)c1
InChIInChI=1S/C19H20ClNOS/c1-13-8-9-16(14(2)12-13)19-21(10-11-23-19)18(22)17(20)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11H2,1-2H3/t17-,19-/m1/s1
InChIKeyAFMBXOKXLWAQDI-IEBWSBKVSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone 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

2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 815956
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 42781111
(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 7225825
(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 4533715
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 42781114
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4079349
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5068195
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1025746
2-(2,4-dimethylphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4190131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone (CID 816020) is (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone is Cc1ccc([C@H]2SCCN2C(=O)[C@H](Cl)c2ccccc2)c(C)c1.
What is the InChIKey of (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The InChIKey is AFMBXOKXLWAQDI-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H20ClNOS/c1-13-8-9-16(14(2)12-13)19-21(10-11-23-19)18(22)17(20)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone has a molecular weight of 345.90 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 816020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).