4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one

C13H16N2O2S — CID 135439354

IUPAC4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1cc(O)c(C(C)C)cc1/N=C1/CSC(=O)N1
InChIInChI=1S/C13H16N2O2S/c1-7(2)9-5-10(8(3)4-11(9)16)14-12-6-18-13(17)15-12/h4-5,7,16H,6H2,1-3H3,(H,14,15,17)
InChIKeyZXFPGFBEAAFTOL-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.31
Rot. Bonds2

About 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one

4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135439354) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135439354
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1cc(O)c(C(C)C)cc1/N=C1/CSC(=O)N1
InChIInChI=1S/C13H16N2O2S/c1-7(2)9-5-10(8(3)4-11(9)16)14-12-6-18-13(17)15-12/h4-5,7,16H,6H2,1-3H3,(H,14,15,17)
InChIKeyZXFPGFBEAAFTOL-UHFFFAOYSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one (CID 135439354) is 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one is Cc1cc(O)c(C(C)C)cc1/N=C1/CSC(=O)N1.
What is the InChIKey of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is ZXFPGFBEAAFTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-7(2)9-5-10(8(3)4-11(9)16)14-12-6-18-13(17)15-12/h4-5,7,16H,6H2,1-3H3,(H,14,15,17).
What are the key properties of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 264.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135439354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).