2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide

C11H19N3O4S — CID 21303108

IUPAC2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide
SMILESCC1SC(CC(=O)N(C)C)C(=O)N1C(C)C(=O)NO
InChIInChI=1S/C11H19N3O4S/c1-6(10(16)12-18)14-7(2)19-8(11(14)17)5-9(15)13(3)4/h6-8,18H,5H2,1-4H3,(H,12,16)
InChIKeySGNRPTFCFWTERR-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.35
Rot. Bonds4

About 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide

2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide (PubChem CID 21303108) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide
PubChem CID21303108
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide
SMILESCC1SC(CC(=O)N(C)C)C(=O)N1C(C)C(=O)NO
InChIInChI=1S/C11H19N3O4S/c1-6(10(16)12-18)14-7(2)19-8(11(14)17)5-9(15)13(3)4/h6-8,18H,5H2,1-4H3,(H,12,16)
InChIKeySGNRPTFCFWTERR-UHFFFAOYSA-N
XLogP-0.35
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide?
The IUPAC name of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide (CID 21303108) is 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide is CC1SC(CC(=O)N(C)C)C(=O)N1C(C)C(=O)NO.
What is the InChIKey of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide?
The InChIKey is SGNRPTFCFWTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-6(10(16)12-18)14-7(2)19-8(11(14)17)5-9(15)13(3)4/h6-8,18H,5H2,1-4H3,(H,12,16).
What are the key properties of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide?
2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide has a molecular weight of 289.36 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)-2-oxoethyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-hydroxypropanamide is sourced from PubChem (CID 21303108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).