(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one

C17H23Cl2NOS — CID 7355994

IUPAC(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
SMILESCCCC[C@H](CC)C(=O)N1CCS[C@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H23Cl2NOS/c1-3-5-7-12(4-2)16(21)20-10-11-22-17(20)13-8-6-9-14(18)15(13)19/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3/t12-,17-/m0/s1
InChIKeyUIMFYZMGEPYAAT-SJCJKPOMSA-N
MW360.35 g/mol
LogP5.78
Rot. Bonds6

About (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one

(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one (PubChem CID 7355994) has the molecular formula C17H23Cl2NOS and a molecular weight of 360.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
PubChem CID7355994
Molecular FormulaC17H23Cl2NOS
Molecular Weight360.35 g/mol
Exact Mass359.09
IUPAC Name(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
SMILESCCCC[C@H](CC)C(=O)N1CCS[C@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H23Cl2NOS/c1-3-5-7-12(4-2)16(21)20-10-11-22-17(20)13-8-6-9-14(18)15(13)19/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3/t12-,17-/m0/s1
InChIKeyUIMFYZMGEPYAAT-SJCJKPOMSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.35
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one 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

1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 5086784
(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7439629
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7249096
N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3636809
(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7398758
(2S)-1-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one
CID 92760228
(2R)-1-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one
CID 92760227
(2R)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7411665
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7416385

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one (CID 7355994) is (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one is CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The InChIKey is UIMFYZMGEPYAAT-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H23Cl2NOS/c1-3-5-7-12(4-2)16(21)20-10-11-22-17(20)13-8-6-9-14(18)15(13)19/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3/t12-,17-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one has a molecular weight of 360.35 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 7355994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).