2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one

C13H16Cl2N2OS — CID 24715466

IUPAC2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCNCCN1C(=O)C(C)SC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2OS/c1-8-12(18)17(6-5-16-2)13(19-8)9-3-4-10(14)11(15)7-9/h3-4,7-8,13,16H,5-6H2,1-2H3
InChIKeyCKWFZUXQOYUAST-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.18
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one

2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 24715466) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID24715466
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC Name2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCNCCN1C(=O)C(C)SC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2OS/c1-8-12(18)17(6-5-16-2)13(19-8)9-3-4-10(14)11(15)7-9/h3-4,7-8,13,16H,5-6H2,1-2H3
InChIKeyCKWFZUXQOYUAST-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one (CID 24715466) is 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one is CNCCN1C(=O)C(C)SC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is CKWFZUXQOYUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c1-8-12(18)17(6-5-16-2)13(19-8)9-3-4-10(14)11(15)7-9/h3-4,7-8,13,16H,5-6H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 319.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 24715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).