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

C9H16N2O2S — CID 30780722

IUPACN-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CSCC1=O
InChIInChI=1S/C9H16N2O2S/c1-9(2,3)10-7(12)4-11-6-14-5-8(11)13/h4-6H2,1-3H3,(H,10,12)
InChIKeyKAGMDXHXJLZTFY-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.43
Rot. Bonds2

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

N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 30780722) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID30780722
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CSCC1=O
InChIInChI=1S/C9H16N2O2S/c1-9(2,3)10-7(12)4-11-6-14-5-8(11)13/h4-6H2,1-3H3,(H,10,12)
InChIKeyKAGMDXHXJLZTFY-UHFFFAOYSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 30780722) is N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(C)(C)NC(=O)CN1CSCC1=O.
What is the InChIKey of N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KAGMDXHXJLZTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,3)10-7(12)4-11-6-14-5-8(11)13/h4-6H2,1-3H3,(H,10,12).
What are the key properties of N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 216.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 30780722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).