N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide

C11H19N3O3S — CID 31563806

IUPACN-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CN1CCSC1=O
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)13-8(15)6-12-9(16)7-14-4-5-18-10(14)17/h4-7H2,1-3H3,(H,12,16)(H,13,15)
InChIKeySSOMEYGEVUEROT-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.19
Rot. Bonds4

About N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide

N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide (PubChem CID 31563806) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
PubChem CID31563806
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CN1CCSC1=O
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)13-8(15)6-12-9(16)7-14-4-5-18-10(14)17/h4-7H2,1-3H3,(H,12,16)(H,13,15)
InChIKeySSOMEYGEVUEROT-UHFFFAOYSA-N
XLogP0.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002791
N-cyclopropyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 47010020
N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43131419
N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide
CID 53615780
(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95339695
(4S)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95339696
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 53565150
N-[2-oxo-2-(2-propyl-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 71856753
N-tert-butyl-N'-(thiiran-2-ylmethyl)ethanediamide
CID 16762668
H-Thz-NH-tBu
CID 10535636
N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
CID 13048730
N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
CID 13048731

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide (CID 31563806) is N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide is CC(C)(C)NC(=O)CNC(=O)CN1CCSC1=O.
What is the InChIKey of N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
The InChIKey is SSOMEYGEVUEROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,3)13-8(15)6-12-9(16)7-14-4-5-18-10(14)17/h4-7H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide has a molecular weight of 273.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 31563806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).