2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one

C13H15ClN2O2S — CID 135989527

IUPAC2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC(C)(O)C1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2O2S/c1-12(2,18)13(3)10(17)16-11(19-13)15-9-7-5-4-6-8(9)14/h4-7,18H,1-3H3,(H,15,16,17)
InChIKeyBPDSNPAWQODULZ-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135989527) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID135989527
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC(C)(O)C1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2O2S/c1-12(2,18)13(3)10(17)16-11(19-13)15-9-7-5-4-6-8(9)14/h4-7,18H,1-3H3,(H,15,16,17)
InChIKeyBPDSNPAWQODULZ-UHFFFAOYSA-N
XLogP2.72
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
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 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one (CID 135989527) is 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one is CC(C)(O)C1(C)S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is BPDSNPAWQODULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-12(2,18)13(3)10(17)16-11(19-13)15-9-7-5-4-6-8(9)14/h4-7,18H,1-3H3,(H,15,16,17).
What are the key properties of 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 298.79 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).