3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one

C20H25NO2S — CID 3243441

IUPAC3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C20H25NO2S/c22-17-11-24-18(16-4-2-1-3-5-16)21(17)13-19-7-14-6-15(8-19)10-20(23,9-14)12-19/h1-5,14-15,18,23H,6-13H2
InChIKeyCRUUIYIDIZATLS-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.59
Rot. Bonds3

About 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one

3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 3243441) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID3243441
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C20H25NO2S/c22-17-11-24-18(16-4-2-1-3-5-16)21(17)13-19-7-14-6-15(8-19)10-20(23,9-14)12-19/h1-5,14-15,18,23H,6-13H2
InChIKeyCRUUIYIDIZATLS-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one (CID 3243441) is 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1CC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CRUUIYIDIZATLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c22-17-11-24-18(16-4-2-1-3-5-16)21(17)13-19-7-14-6-15(8-19)10-20(23,9-14)12-19/h1-5,14-15,18,23H,6-13H2.
What are the key properties of 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 343.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-1-adamantyl)methyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3243441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).