tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate

C8H12N2O4S — CID 86659693

IUPACtert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)CSC1=O
InChIInChI=1S/C8H12N2O4S/c1-8(2,3)14-6(12)9-10-5(11)4-15-7(10)13/h4H2,1-3H3,(H,9,12)
InChIKeyDGHBNZICCCVRIX-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.12
Rot. Bonds1

About tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate

tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate (PubChem CID 86659693) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
PubChem CID86659693
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Nametert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)CSC1=O
InChIInChI=1S/C8H12N2O4S/c1-8(2,3)14-6(12)9-10-5(11)4-15-7(10)13/h4H2,1-3H3,(H,9,12)
InChIKeyDGHBNZICCCVRIX-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.12
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 tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate (CID 86659693) is tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate is CC(C)(C)OC(=O)NN1C(=O)CSC1=O.
What is the InChIKey of tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
The InChIKey is DGHBNZICCCVRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-8(2,3)14-6(12)9-10-5(11)4-15-7(10)13/h4H2,1-3H3,(H,9,12).
What are the key properties of tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate has a molecular weight of 232.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate is sourced from PubChem (CID 86659693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).