2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one

C13H15Cl2NO2S — CID 21234013

IUPAC2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one
SMILESCC(C)(CO)N1C(=O)CSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c1-13(2,7-17)16-11(18)6-19-12(16)9-4-3-8(14)5-10(9)15/h3-5,12,17H,6-7H2,1-2H3
InChIKeyADOGWVNNFVICFC-UHFFFAOYSA-N
MW320.24 g/mol
LogP3.34
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one

2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one (PubChem CID 21234013) has the molecular formula C13H15Cl2NO2S and a molecular weight of 320.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one
PubChem CID21234013
Molecular FormulaC13H15Cl2NO2S
Molecular Weight320.24 g/mol
Exact Mass319.02
IUPAC Name2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one
SMILESCC(C)(CO)N1C(=O)CSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c1-13(2,7-17)16-11(18)6-19-12(16)9-4-3-8(14)5-10(9)15/h3-5,12,17H,6-7H2,1-2H3
InChIKeyADOGWVNNFVICFC-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3107629
2-(2,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 3792861
3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3094655
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
2-(2,4-dichlorophenyl)-3-(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5129440
3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one
CID 3447829
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
(3S)-1-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 7396917
2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4133047
2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]butyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 3102882
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one (CID 21234013) is 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one is CC(C)(CO)N1C(=O)CSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is ADOGWVNNFVICFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2S/c1-13(2,7-17)16-11(18)6-19-12(16)9-4-3-8(14)5-10(9)15/h3-5,12,17H,6-7H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one?
2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 320.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 21234013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).