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

C12H13ClN2OS — CID 46238241

IUPAC2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CS/C1=N/c1ccccc1Cl
InChIInChI=1S/C12H13ClN2OS/c1-2-7-15-11(16)8-17-12(15)14-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3/b14-12+
InChIKeyAVIZUXAVTXUAFO-WYMLVPIESA-N
MW268.77 g/mol
LogP3.31
Rot. Bonds3

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

2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one (PubChem CID 46238241) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one
PubChem CID46238241
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CS/C1=N/c1ccccc1Cl
InChIInChI=1S/C12H13ClN2OS/c1-2-7-15-11(16)8-17-12(15)14-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3/b14-12+
InChIKeyAVIZUXAVTXUAFO-WYMLVPIESA-N
XLogP3.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.31
H-Bond Donors ≤ 50
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-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one (CID 46238241) is 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)CS/C1=N/c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is AVIZUXAVTXUAFO-WYMLVPIESA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-2-7-15-11(16)8-17-12(15)14-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3/b14-12+.
What are the key properties of 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 268.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46238241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).