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

C10H10N2OS — CID 135415405

IUPAC2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)CS1
InChIInChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)11-10-12-9(13)6-14-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyZHBWFKCQBDLFKE-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.85
Rot. Bonds1

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

2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135415405) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135415405
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)CS1
InChIInChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)11-10-12-9(13)6-14-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyZHBWFKCQBDLFKE-UHFFFAOYSA-N
XLogP1.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.85
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-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135415405) is 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1/NC(=O)CS1.
What is the InChIKey of 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZHBWFKCQBDLFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-4-2-3-5-8(7)11-10-12-9(13)6-14-10/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135415405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).