2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C15H20N2OS — CID 22951280

IUPAC2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2CC(C)C)c(C)c1
InChIInChI=1S/C15H20N2OS/c1-10(2)8-17-14(18)9-19-15(17)16-13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3/b16-15-
InChIKeyAONNZAPOHQZUNT-NXVVXOECSA-N
MW276.41 g/mol
LogP3.52
Rot. Bonds3

About 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one

2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 22951280) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID22951280
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2CC(C)C)c(C)c1
InChIInChI=1S/C15H20N2OS/c1-10(2)8-17-14(18)9-19-15(17)16-13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3/b16-15-
InChIKeyAONNZAPOHQZUNT-NXVVXOECSA-N
XLogP3.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.52
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-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 22951280) is 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\SCC(=O)N2CC(C)C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is AONNZAPOHQZUNT-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)8-17-14(18)9-19-15(17)16-13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3/b16-15-.
What are the key properties of 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 276.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 22951280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).