3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one

C17H23NO2S — CID 3042639

IUPAC3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(O)c(C2(C)SCC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C17H23NO2S/c1-12-8-9-15(19)14(10-12)17(2)18(16(20)11-21-17)13-6-4-3-5-7-13/h8-10,13,19H,3-7,11H2,1-2H3
InChIKeyCYWBCKCEDUUCAY-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.78
Rot. Bonds2

About 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one

3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one (PubChem CID 3042639) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one
PubChem CID3042639
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(O)c(C2(C)SCC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C17H23NO2S/c1-12-8-9-15(19)14(10-12)17(2)18(16(20)11-21-17)13-6-4-3-5-7-13/h8-10,13,19H,3-7,11H2,1-2H3
InChIKeyCYWBCKCEDUUCAY-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one (CID 3042639) is 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one is Cc1ccc(O)c(C2(C)SCC(=O)N2C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is CYWBCKCEDUUCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-12-8-9-15(19)14(10-12)17(2)18(16(20)11-21-17)13-6-4-3-5-7-13/h8-10,13,19H,3-7,11H2,1-2H3.
What are the key properties of 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one?
3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 305.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3042639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).