ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate

C9H14N2O4S — CID 22507185

IUPACethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sn(C(C)C)c1=O
InChIInChI=1S/C9H14N2O4S/c1-4-15-7(12)5-10-8(13)11(6(2)3)16-9(10)14/h6H,4-5H2,1-3H3
InChIKeyFRQMBNULHSOEFU-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.22
Rot. Bonds4

About ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate

ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate (PubChem CID 22507185) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate
PubChem CID22507185
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sn(C(C)C)c1=O
InChIInChI=1S/C9H14N2O4S/c1-4-15-7(12)5-10-8(13)11(6(2)3)16-9(10)14/h6H,4-5H2,1-3H3
InChIKeyFRQMBNULHSOEFU-UHFFFAOYSA-N
XLogP0.22
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate (CID 22507185) is ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate is CCOC(=O)Cn1c(=O)sn(C(C)C)c1=O.
What is the InChIKey of ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate?
The InChIKey is FRQMBNULHSOEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-4-15-7(12)5-10-8(13)11(6(2)3)16-9(10)14/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate?
ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate has a molecular weight of 246.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dioxo-2-propan-2-yl-1,2,4-thiadiazolidin-4-yl)acetate is sourced from PubChem (CID 22507185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).