N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide

C11H17N3O4S — CID 166506431

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide
SMILESCNC(=O)C(C)(C)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C11H17N3O4S/c1-11(2,8(16)12-3)9(17)13-4-5-14-7(15)6-19-10(14)18/h4-6H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyUSWBEDFNNVDJLZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.43
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide (PubChem CID 166506431) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide
PubChem CID166506431
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide
SMILESCNC(=O)C(C)(C)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C11H17N3O4S/c1-11(2,8(16)12-3)9(17)13-4-5-14-7(15)6-19-10(14)18/h4-6H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyUSWBEDFNNVDJLZ-UHFFFAOYSA-N
XLogP-0.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide (CID 166506431) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide is CNC(=O)C(C)(C)C(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide?
The InChIKey is USWBEDFNNVDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-11(2,8(16)12-3)9(17)13-4-5-14-7(15)6-19-10(14)18/h4-6H2,1-3H3,(H,12,16)(H,13,17).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide has a molecular weight of 287.34 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide is sourced from PubChem (CID 166506431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).