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

C10H9ClN2OS — CID 135999786

IUPAC2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C10H9ClN2OS/c1-6-9(14)13-10(15-6)12-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,13,14)
InChIKeyJOEVFCJNZCDHCR-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.58
Rot. Bonds1

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

2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135999786) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135999786
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C10H9ClN2OS/c1-6-9(14)13-10(15-6)12-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,13,14)
InChIKeyJOEVFCJNZCDHCR-UHFFFAOYSA-N
XLogP2.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.58
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-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 135999786) is 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is JOEVFCJNZCDHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-9(14)13-10(15-6)12-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,13,14).
What are the key properties of 2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.58, 1 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-1,3-thiazolidin-4-one is sourced from PubChem (CID 135999786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).