ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate

C9H15NO3S — CID 130399732

IUPACethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate
SMILESCCOC(=O)CC1SC(C)N(C)C1=O
InChIInChI=1S/C9H15NO3S/c1-4-13-8(11)5-7-9(12)10(3)6(2)14-7/h6-7H,4-5H2,1-3H3
InChIKeyLXWCTDSSWPSFHB-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.86
Rot. Bonds3

About ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate

ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate (PubChem CID 130399732) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate
PubChem CID130399732
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Nameethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate
SMILESCCOC(=O)CC1SC(C)N(C)C1=O
InChIInChI=1S/C9H15NO3S/c1-4-13-8(11)5-7-9(12)10(3)6(2)14-7/h6-7H,4-5H2,1-3H3
InChIKeyLXWCTDSSWPSFHB-UHFFFAOYSA-N
XLogP0.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate (CID 130399732) is ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate is CCOC(=O)CC1SC(C)N(C)C1=O.
What is the InChIKey of ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The InChIKey is LXWCTDSSWPSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-4-13-8(11)5-7-9(12)10(3)6(2)14-7/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate has a molecular weight of 217.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate is sourced from PubChem (CID 130399732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).