tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate

C11H18N2O4S — CID 20624412

IUPACtert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CSCC1C=O
InChIInChI=1S/C11H18N2O4S/c1-11(2,3)17-10(16)12-4-9(15)13-7-18-6-8(13)5-14/h5,8H,4,6-7H2,1-3H3,(H,12,16)
InChIKeyZGDBUTDXSSPHPS-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.61
Rot. Bonds3

About tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate (PubChem CID 20624412) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
PubChem CID20624412
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nametert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CSCC1C=O
InChIInChI=1S/C11H18N2O4S/c1-11(2,3)17-10(16)12-4-9(15)13-7-18-6-8(13)5-14/h5,8H,4,6-7H2,1-3H3,(H,12,16)
InChIKeyZGDBUTDXSSPHPS-UHFFFAOYSA-N
XLogP0.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate (CID 20624412) is tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CSCC1C=O.
What is the InChIKey of tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate?
The InChIKey is ZGDBUTDXSSPHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-11(2,3)17-10(16)12-4-9(15)13-7-18-6-8(13)5-14/h5,8H,4,6-7H2,1-3H3,(H,12,16).
What are the key properties of tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate has a molecular weight of 274.34 g/mol, XLogP of 0.61, 3 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-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 20624412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).