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

C16H25NO3S — CID 3284160

IUPAC2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C2SCC(=O)N2CCCC(C)(C)CO)oc1C
InChIInChI=1S/C16H25NO3S/c1-11-8-13(20-12(11)2)15-17(14(19)9-21-15)7-5-6-16(3,4)10-18/h8,15,18H,5-7,9-10H2,1-4H3
InChIKeyVNZIJYKJYNXBNR-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.27
Rot. Bonds6

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

2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one (PubChem CID 3284160) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one
PubChem CID3284160
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C2SCC(=O)N2CCCC(C)(C)CO)oc1C
InChIInChI=1S/C16H25NO3S/c1-11-8-13(20-12(11)2)15-17(14(19)9-21-15)7-5-6-16(3,4)10-18/h8,15,18H,5-7,9-10H2,1-4H3
InChIKeyVNZIJYKJYNXBNR-UHFFFAOYSA-N
XLogP3.27
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one (CID 3284160) is 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one is Cc1cc(C2SCC(=O)N2CCCC(C)(C)CO)oc1C.
What is the InChIKey of 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one?
The InChIKey is VNZIJYKJYNXBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-8-13(20-12(11)2)15-17(14(19)9-21-15)7-5-6-16(3,4)10-18/h8,15,18H,5-7,9-10H2,1-4H3.
What are the key properties of 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one?
2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one has a molecular weight of 311.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3284160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).