5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one

C16H20N2O2S — CID 135989048

IUPAC5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)C(C)(C2CCOCC2)S1
InChIInChI=1S/C16H20N2O2S/c1-11-5-3-4-6-13(11)17-15-18-14(19)16(2,21-15)12-7-9-20-10-8-12/h3-6,12H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyLZPOXWGBMNSAQJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.03
Rot. Bonds2

About 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one

5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one (PubChem CID 135989048) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one
PubChem CID135989048
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)C(C)(C2CCOCC2)S1
InChIInChI=1S/C16H20N2O2S/c1-11-5-3-4-6-13(11)17-15-18-14(19)16(2,21-15)12-7-9-20-10-8-12/h3-6,12H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyLZPOXWGBMNSAQJ-UHFFFAOYSA-N
XLogP3.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one (CID 135989048) is 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1/NC(=O)C(C)(C2CCOCC2)S1.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is LZPOXWGBMNSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-3-4-6-13(11)17-15-18-14(19)16(2,21-15)12-7-9-20-10-8-12/h3-6,12H,7-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one?
5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 304.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)imino-5-(oxan-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).