5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C12H14N2OS — CID 135450677

IUPAC5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2ccccc2C)NC1=O
InChIInChI=1S/C12H14N2OS/c1-3-10-11(15)14-12(16-10)13-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3,(H,13,14,15)
InChIKeyCWOSTWNWVJUZID-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.62
Rot. Bonds2

About 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135450677) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135450677
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2ccccc2C)NC1=O
InChIInChI=1S/C12H14N2OS/c1-3-10-11(15)14-12(16-10)13-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3,(H,13,14,15)
InChIKeyCWOSTWNWVJUZID-UHFFFAOYSA-N
XLogP2.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.62
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 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135450677) is 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is CCC1S/C(=N\c2ccccc2C)NC1=O.
What is the InChIKey of 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is CWOSTWNWVJUZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-10-11(15)14-12(16-10)13-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135450677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).