2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one

C13H15ClN2OS — CID 135989476

IUPAC2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2OS/c1-3-8-13(2)11(17)16-12(18-13)15-10-7-5-4-6-9(10)14/h4-7H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyJSJTUVGFSKZNAN-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.75
Rot. Bonds3

About 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one (PubChem CID 135989476) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one
PubChem CID135989476
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2OS/c1-3-8-13(2)11(17)16-12(18-13)15-10-7-5-4-6-9(10)14/h4-7H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyJSJTUVGFSKZNAN-UHFFFAOYSA-N
XLogP3.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one (CID 135989476) is 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one is CCCC1(C)S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is JSJTUVGFSKZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-3-8-13(2)11(17)16-12(18-13)15-10-7-5-4-6-9(10)14/h4-7H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 282.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).