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

C8H14N2O3S — CID 143199969

IUPACtert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1NC(=O)CS1
InChIInChI=1S/C8H14N2O3S/c1-8(2,3)13-7(12)10-6-9-5(11)4-14-6/h6H,4H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyQYLJOUNWUDDNTF-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.66
Rot. Bonds1

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

tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate (PubChem CID 143199969) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate
PubChem CID143199969
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Nametert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1NC(=O)CS1
InChIInChI=1S/C8H14N2O3S/c1-8(2,3)13-7(12)10-6-9-5(11)4-14-6/h6H,4H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyQYLJOUNWUDDNTF-UHFFFAOYSA-N
XLogP0.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate (CID 143199969) is tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate is CC(C)(C)OC(=O)NC1NC(=O)CS1.
What is the InChIKey of tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate?
The InChIKey is QYLJOUNWUDDNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-8(2,3)13-7(12)10-6-9-5(11)4-14-6/h6H,4H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate?
tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate has a molecular weight of 218.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-oxo-1,3-thiazolidin-2-yl)carbamate is sourced from PubChem (CID 143199969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).