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

C17H25NO2S — CID 3771055

IUPAC3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CCCC(C)(C)CO
InChIInChI=1S/C17H25NO2S/c1-13-7-4-5-8-14(13)16-18(15(20)11-21-16)10-6-9-17(2,3)12-19/h4-5,7-8,16,19H,6,9-12H2,1-3H3
InChIKeyUTEIACPJVSQPKI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.37
Rot. Bonds6

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

3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3771055) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID3771055
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CCCC(C)(C)CO
InChIInChI=1S/C17H25NO2S/c1-13-7-4-5-8-14(13)16-18(15(20)11-21-16)10-6-9-17(2,3)12-19/h4-5,7-8,16,19H,6,9-12H2,1-3H3
InChIKeyUTEIACPJVSQPKI-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 3771055) is 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1SCC(=O)N1CCCC(C)(C)CO.
What is the InChIKey of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is UTEIACPJVSQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-7-4-5-8-14(13)16-18(15(20)11-21-16)10-6-9-17(2,3)12-19/h4-5,7-8,16,19H,6,9-12H2,1-3H3.
What are the key properties of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3771055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).