3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide

C12H18N2O4S — CID 167585137

IUPAC3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)(C)NC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C12H18N2O4S/c1-4-8(15)12(2,3)13-9(16)5-6-14-10(17)7-19-11(14)18/h4-7H2,1-3H3,(H,13,16)
InChIKeyHRUQQANMLCGYOA-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.95
Rot. Bonds6

About 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide (PubChem CID 167585137) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
PubChem CID167585137
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)(C)NC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C12H18N2O4S/c1-4-8(15)12(2,3)13-9(16)5-6-14-10(17)7-19-11(14)18/h4-7H2,1-3H3,(H,13,16)
InChIKeyHRUQQANMLCGYOA-UHFFFAOYSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide (CID 167585137) is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide is CCC(=O)C(C)(C)NC(=O)CCN1C(=O)CSC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
The InChIKey is HRUQQANMLCGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-8(15)12(2,3)13-9(16)5-6-14-10(17)7-19-11(14)18/h4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide has a molecular weight of 286.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide is sourced from PubChem (CID 167585137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).