5-benzyl-1,3-thiazolidine-2,4-diol

C10H13NO2S — CID 174441365

IUPAC5-benzyl-1,3-thiazolidine-2,4-diol
SMILESOC1NC(O)C(Cc2ccccc2)S1
InChIInChI=1S/C10H13NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8-13H,6H2
InChIKeyKGJMDQINZCLNGQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.53
Rot. Bonds2

About 5-benzyl-1,3-thiazolidine-2,4-diol

5-benzyl-1,3-thiazolidine-2,4-diol (PubChem CID 174441365) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-benzyl-1,3-thiazolidine-2,4-diol.

Molecular Properties

Compound Name5-benzyl-1,3-thiazolidine-2,4-diol
PubChem CID174441365
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-benzyl-1,3-thiazolidine-2,4-diol
SMILESOC1NC(O)C(Cc2ccccc2)S1
InChIInChI=1S/C10H13NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8-13H,6H2
InChIKeyKGJMDQINZCLNGQ-UHFFFAOYSA-N
XLogP0.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(4S)-4-benzyl-5-hydroxy-1-phenylimidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-thiazolidine-2,4-diol?
The IUPAC name of 5-benzyl-1,3-thiazolidine-2,4-diol (CID 174441365) is 5-benzyl-1,3-thiazolidine-2,4-diol.
What is the SMILES notation for 5-benzyl-1,3-thiazolidine-2,4-diol?
The canonical SMILES for 5-benzyl-1,3-thiazolidine-2,4-diol is OC1NC(O)C(Cc2ccccc2)S1.
What is the InChIKey of 5-benzyl-1,3-thiazolidine-2,4-diol?
The InChIKey is KGJMDQINZCLNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8-13H,6H2.
What are the key properties of 5-benzyl-1,3-thiazolidine-2,4-diol?
5-benzyl-1,3-thiazolidine-2,4-diol has a molecular weight of 211.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-thiazolidine-2,4-diol is sourced from PubChem (CID 174441365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).