N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C15H25N3O4S — CID 108526310

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C15H25N3O4S/c1-14(2,3)9-15(4,5)17-12(21)11(20)16-6-7-18-10(19)8-23-13(18)22/h6-9H2,1-5H3,(H,16,20)(H,17,21)
InChIKeySKXCPGGMGJZOPG-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.13
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526310) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526310
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C15H25N3O4S/c1-14(2,3)9-15(4,5)17-12(21)11(20)16-6-7-18-10(19)8-23-13(18)22/h6-9H2,1-5H3,(H,16,20)(H,17,21)
InChIKeySKXCPGGMGJZOPG-UHFFFAOYSA-N
XLogP1.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-dimethylbutanoyl)-N-ethyl-1,3-thiazolidine-4-carboxamide
CID 53613347
3-(2-amino-3,3-dimethylbutanoyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 68234099
(4R)-N-(1-amino-1-oxopropan-2-yl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 69213679
carbanide;3-[3,3-dimethyl-2-(oxomethylamino)butanoyl]-N-methyl-1,3-thiazolidine-4-carboxamide;uranium(2+)
CID 147648776
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 167585137
5-Amino-3-(2-methylpentan-2-yl)-1,3-thiazolidine-2,4-dione
CID 170308976
N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 3930149
N-butan-2-yl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 3930150
3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 3930152
N-tert-butyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 31563806
N-tert-butyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 31715661
3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42749074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526310) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is SKXCPGGMGJZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-14(2,3)9-15(4,5)17-12(21)11(20)16-6-7-18-10(19)8-23-13(18)22/h6-9H2,1-5H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 343.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).