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

C9H7Cl2NO2S — CID 71423757

IUPAC2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)c(Cl)c2)N1O
InChIInChI=1S/C9H7Cl2NO2S/c10-6-2-1-5(3-7(6)11)9-12(14)8(13)4-15-9/h1-3,9,14H,4H2
InChIKeyKIJXKIGUVNLDFI-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.96
Rot. Bonds1

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

2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one (PubChem CID 71423757) has the molecular formula C9H7Cl2NO2S and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
PubChem CID71423757
Molecular FormulaC9H7Cl2NO2S
Molecular Weight264.13 g/mol
Exact Mass262.96
IUPAC Name2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)c(Cl)c2)N1O
InChIInChI=1S/C9H7Cl2NO2S/c10-6-2-1-5(3-7(6)11)9-12(14)8(13)4-15-9/h1-3,9,14H,4H2
InChIKeyKIJXKIGUVNLDFI-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one (CID 71423757) is 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)c(Cl)c2)N1O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one?
The InChIKey is KIJXKIGUVNLDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2S/c10-6-2-1-5(3-7(6)11)9-12(14)8(13)4-15-9/h1-3,9,14H,4H2.
What are the key properties of 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one has a molecular weight of 264.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one is sourced from PubChem (CID 71423757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).