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

C11H20N2O4S — CID 20624407

IUPACtert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCSC1CO
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-6-8(15)13-4-5-18-9(13)7-14/h9,14H,4-7H2,1-3H3,(H,12,16)
InChIKeyWQAHIWLKZOTPSJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.40
Rot. Bonds3

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

tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate (PubChem CID 20624407) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
PubChem CID20624407
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Nametert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCSC1CO
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-6-8(15)13-4-5-18-9(13)7-14/h9,14H,4-7H2,1-3H3,(H,12,16)
InChIKeyWQAHIWLKZOTPSJ-UHFFFAOYSA-N
XLogP0.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate (CID 20624407) is tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CCSC1CO.
What is the InChIKey of tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The InChIKey is WQAHIWLKZOTPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-6-8(15)13-4-5-18-9(13)7-14/h9,14H,4-7H2,1-3H3,(H,12,16).
What are the key properties of tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate has a molecular weight of 276.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 20624407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).