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

C10H9Cl2NOS — CID 2872053

IUPAC2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)7-3-2-6(11)4-8(7)12/h2-5,10H,1H3,(H,13,14)
InChIKeyKEUDDAJTQFOMKK-UHFFFAOYSA-N
MW262.16 g/mol
LogP3.24
Rot. Bonds1

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

2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 2872053) has the molecular formula C10H9Cl2NOS and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID2872053
Molecular FormulaC10H9Cl2NOS
Molecular Weight262.16 g/mol
Exact Mass260.98
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)7-3-2-6(11)4-8(7)12/h2-5,10H,1H3,(H,13,14)
InChIKeyKEUDDAJTQFOMKK-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one (CID 2872053) is 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one is CC1SC(c2ccc(Cl)cc2Cl)NC1=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is KEUDDAJTQFOMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)7-3-2-6(11)4-8(7)12/h2-5,10H,1H3,(H,13,14).
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 262.16 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2872053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).