3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one

C13H19NO2S2 — CID 3371955

IUPAC3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2CC(C)(C)CO)s1
InChIInChI=1S/C13H19NO2S2/c1-9-4-5-10(18-9)12-14(11(16)6-17-12)7-13(2,3)8-15/h4-5,12,15H,6-8H2,1-3H3
InChIKeyMOOYRESJEJGUHR-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one

3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 3371955) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID3371955
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC Name3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2CC(C)(C)CO)s1
InChIInChI=1S/C13H19NO2S2/c1-9-4-5-10(18-9)12-14(11(16)6-17-12)7-13(2,3)8-15/h4-5,12,15H,6-8H2,1-3H3
InChIKeyMOOYRESJEJGUHR-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one (CID 3371955) is 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2CC(C)(C)CO)s1.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is MOOYRESJEJGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-9-4-5-10(18-9)12-14(11(16)6-17-12)7-13(2,3)8-15/h4-5,12,15H,6-8H2,1-3H3.
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 285.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3371955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).