2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone

C14H17Cl2NOS — CID 816075

IUPAC2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(C)c1ccc([C@@H]2SCCN2C(=O)C(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl2NOS/c1-9(2)10-3-5-11(6-4-10)14-17(7-8-19-14)13(18)12(15)16/h3-6,9,12,14H,7-8H2,1-2H3/t14-/m0/s1
InChIKeyHIRBZPAAIUFBFB-AWEZNQCLSA-N
MW318.27 g/mol
LogP4.19
Rot. Bonds3

About 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone

2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 816075) has the molecular formula C14H17Cl2NOS and a molecular weight of 318.27 g/mol. Its IUPAC name is 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID816075
Molecular FormulaC14H17Cl2NOS
Molecular Weight318.27 g/mol
Exact Mass317.04
IUPAC Name2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(C)c1ccc([C@@H]2SCCN2C(=O)C(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl2NOS/c1-9(2)10-3-5-11(6-4-10)14-17(7-8-19-14)13(18)12(15)16/h3-6,9,12,14H,7-8H2,1-2H3/t14-/m0/s1
InChIKeyHIRBZPAAIUFBFB-AWEZNQCLSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855
[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 42781134
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
(3R)-3,5,5-trimethyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 816120
(3S)-3,5,5-trimethyl-1-[(2R)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 816119
N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one
CID 122329135
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
(2R)-1-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7237057
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4145535

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 816075) is 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone is CC(C)c1ccc([C@@H]2SCCN2C(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is HIRBZPAAIUFBFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17Cl2NOS/c1-9(2)10-3-5-11(6-4-10)14-17(7-8-19-14)13(18)12(15)16/h3-6,9,12,14H,7-8H2,1-2H3/t14-/m0/s1.
What are the key properties of 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone?
2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 318.27 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 816075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).