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

C12H14N2OS — CID 652271

IUPAC2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccccc1/N=C1\SCC(=O)N1C
InChIInChI=1S/C12H14N2OS/c1-3-9-6-4-5-7-10(9)13-12-14(2)11(15)8-16-12/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyXTZJIJAXSOYBGD-SEYXRHQNSA-N
MW234.32 g/mol
LogP2.44
Rot. Bonds2

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

2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 652271) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID652271
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccccc1/N=C1\SCC(=O)N1C
InChIInChI=1S/C12H14N2OS/c1-3-9-6-4-5-7-10(9)13-12-14(2)11(15)8-16-12/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyXTZJIJAXSOYBGD-SEYXRHQNSA-N
XLogP2.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.44
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-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 652271) is 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is CCc1ccccc1/N=C1\SCC(=O)N1C.
What is the InChIKey of 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is XTZJIJAXSOYBGD-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-9-6-4-5-7-10(9)13-12-14(2)11(15)8-16-12/h4-7H,3,8H2,1-2H3/b13-12-.
What are the key properties of 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 652271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).