2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one

C15H9Cl4NOS — CID 503758

IUPAC2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl4NOS/c16-8-4-9(17)6-10(5-8)20-13(21)7-22-15(20)14-11(18)2-1-3-12(14)19/h1-6,15H,7H2
InChIKeyYTYCIKWMLKIVPY-UHFFFAOYSA-N
MW393.12 g/mol
LogP6.08
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 503758) has the molecular formula C15H9Cl4NOS and a molecular weight of 393.12 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID503758
Molecular FormulaC15H9Cl4NOS
Molecular Weight393.12 g/mol
Exact Mass390.92
IUPAC Name2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl4NOS/c16-8-4-9(17)6-10(5-8)20-13(21)7-22-15(20)14-11(18)2-1-3-12(14)19/h1-6,15H,7H2
InChIKeyYTYCIKWMLKIVPY-UHFFFAOYSA-N
XLogP6.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.12
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
CID 503745
2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 16728005
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3107629
2-(2,6-dichlorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one
CID 135585392
3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 126476201
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 16728913
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393
3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3094655
2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
CID 44583142
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one (CID 503758) is 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(Cl)cccc2Cl)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is YTYCIKWMLKIVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NOS/c16-8-4-9(17)6-10(5-8)20-13(21)7-22-15(20)14-11(18)2-1-3-12(14)19/h1-6,15H,7H2.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 393.12 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 503758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).